UCSF

ZINC64539330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 38 No

Popular Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(methanesulfonamido)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS…

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) 5.42 10.78 -73.28 1 6 -1 103 546.794 3 ↓
Lo Low (pH 4.5-6) 5.42 8.81 -24.6 2 6 0 101 547.802 3 ↓

Activity (Go SEA)

Rings

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

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