{"uid":"cap_Cr3hehQWzWngatBJzc_Ii","slug":"synthora-pubchem-drug-likeness-descriptors-13f3e52d","name":"SYNTHORA PubChem Drug-Likeness Descriptors","description":"Returns Lipinski / ADMET-relevant molecular descriptors for a compound by name from PubChem pubchem.ncbi.nlm.nih.gov/rest/pug: XLogP, TPSA, HBondDonorCount, HBondAcceptorCount and RotatableBondCount. Autonomous agents and agent-to-agent (A2A) medicinal-chemistry and virtual-screening pipelines consume these to score drug-likeness and permeability. Ranking surface: compound name to descriptor vector. First 3 calls FREE per wallet — send header X-WALLET: 0x<addr>. No charge on upstream failure.","url":"https://pubchem-druglikeness-descriptors.hergertsynthora.com/service","method":"POST","headers":{},"bodySchema":{"type":"object","properties":{"compound_name":{"type":"string","description":"compound_name"}}},"responseSchema":{"type":"json","example":{"ok":true,"niche":"pubchem-druglikeness-descriptors","result":{"tpsa":37.3,"xlogp":3.5,"compound_name":"ibuprofen","h_bond_donors":1,"rotatable_bonds":4,"h_bond_acceptors":2},"provenance":{"url":"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/ibuprofen/property/XLogP,TPSA,HBondDonorCount,HBondAcceptorCount,RotatableBondCount/JSON","source":"PubChem Drug-Likeness Descriptors"}}},"example":null,"exampleRequest":null,"tags":["x402"],"displayCostAmount":"0.001","displayCostAsset":"USDC","priceDynamic":false,"priceHint":null,"priceStatus":"priced","priceSource":"probe","requiresHandshake":false,"reviewCount":0,"rating":{"score":"0.00","successRate":"0.00","reviews":0,"stars":null,"state":"unrated"},"availabilityStatus":"unknown","priceObserved":null,"sessionDeposit":null,"pricing":{"kind":"static","summary":"$0.001/call","primary":{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.001","per":"call","confidence":"exact"},"accepted":[{"kind":"static","protocol":"x402","network":"base","amountUsd":"0.001","per":"call","confidence":"exact"}]},"paymentMethods":[{"uid":"pm_MV2_HH963VOqykdJwFTuP","protocol":"x402","methodType":"crypto","chain":"base","mode":"charge","costAmount":"0.001","costPer":"request","priority":0,"asset":"0x833589fCD6eDb6E08f4c7C32D4f71b54bdA02913","unit":"request","depositMicros":null,"planRef":null}],"brandName":null,"brandSlug":null,"brandBaseUrl":null,"brandDocsUrl":null,"whatItDoes":"Fetches Lipinski/ADMET molecular descriptors (XLogP, TPSA, H-bond donors/acceptors, rotatable bonds) for a named compound from PubChem","exampleAgentPrompt":"Can you pull the drug-likeness descriptors for ibuprofen — I need its XLogP, TPSA, hydrogen bond donors and acceptors, and rotatable bond count for a Lipinski screening pipeline.","exampleUseCases":[{"title":"Lipinski filter for lead compounds","prompt":"I'm running a virtual screening pipeline and need to check if naproxen passes the Lipinski rule of five — can you grab its XLogP, TPSA, H-bond donors, H-bond acceptors, and rotatable bond count from PubChem?"},{"title":"ADMET permeability scoring in agent pipeline","prompt":"For my medicinal chemistry agent, fetch the ADMET-relevant descriptors for metformin — specifically its TPSA and hydrogen bond donor count so I can estimate oral bioavailability."},{"title":"Compare drug-likeness of candidate molecules","prompt":"I'm evaluating three candidates and need to start with aspirin — can you get its PubChem drug-likeness descriptors including XLogP, TPSA, and rotatable bonds so I can rank it against the others?"}],"resultDescription":"A JSON object containing the compound name, XLogP (lipophilicity), TPSA (topological polar surface area), H-bond donor count, H-bond acceptor count, and rotatable bond count, along with a provenance URL pointing to the PubChem REST API source.","failureModes":["Compound name not found in PubChem — returns error or empty result","Ambiguous compound name matching multiple PubChem entries — may return unexpected compound","PubChem upstream API unavailable — service returns error","Misspelled or non-standard compound name fails lookup","Payment not processed — x402 gate blocks request"],"whenToPreferThis":"Use this endpoint when you need quick, structured Lipinski/ADMET descriptor vectors for a named compound without writing PubChem API integration yourself; ideal for autonomous medicinal chemistry agents, virtual screening pipelines, and A2A workflows that need drug-likeness scoring by compound name at low cost ($0.001/call).","instructions":null,"reviewSummary":null,"reviewSummaryHighlights":null,"reviewSummaryConcerns":null,"reviewSummaryGeneratedAt":null,"activationCount":0,"lastUsedAt":null,"lastSuccessfullyRanAt":null,"lastHealthCheckAt":"2026-09-15T18:37:57.923Z","isFirstParty":false}