UCSF

ZINC34753055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 19 Yes

Popular Name: (8S,9S,13R,14S)-13-methyl-2,4,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one (8S,9S,13R,14S)-13-methyl-2,4,6,…

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) 3.73 10.17 -4.3 0 1 0 17 256.389 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0715517A1; EP0783513A1; EP0891188A1; EP0924219A2; US5633392; US5783571; US5925774; US5939570; US5994568; US6057439; US6066627; US6117860; US6140316; WO1994028903A1; WO1996010032A1; WO1997036596A1; WO1998003207A1; WO1998014194A1 IBM Patent Data

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.