UCSF

ZINC04216508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 Yes

Popular Name: Hydromorphinol Hydromorphinol

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 0.66 -5.29 -47.79 4 5 1 74 304.366 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.06e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0608893A1; EP1003494A1; US4126684; US4231923; US4257773; US4263255; US5321012; US5556838; US5654281; US6008258; WO1998031358A1 IBM Patent Data

Activity (Go SEA)

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