UCSF

ZINC04097183

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 27 Yes

Popular Name: Heroin Heroin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1502-95-0 , 561-27-3

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 3.87 -56.79 1 6 1 66 370.425 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.66e-01 g/l DrugBank-approved
Patent Database Links EP1055665; EP1211247; EP1279666; EP1382605; EP1518555; EP1555023; EP1639997; EP1700601; EP1741426; EP1767221; EP1776950; EP1785425; EP1813276; EP1820805; EP1857121; EP1870405; EP1897544; EP1949906; US2002048798; US2002143003; US2002165224; US2002176888; U ChEBI
UniProt Database Links EST1_HUMAN; EST2_HUMAN; OPRM_HUMAN ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )