UCSF

ZINC32911543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 25 No

Popular Name: 2-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyc 2-[(8R,9S,10R,13S,14S,17S)-17-hy…

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) 2.83 8.04 -49.27 1 4 -1 77 345.459 2 ↓
Lo Low (pH 4.5-6) 2.83 6.92 -13.38 2 4 0 75 346.467 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998050016A2 IBM Patent Data

Activity (Go SEA)

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