UCSF

ZINC35014414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 Yes

Popular Name: N'-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pent N'-[[(1R,4aS,10aR)-7-isopropyl-1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 7.24 14.6 -130.72 4 2 2 33 400.695 10 ↓
Hi High (pH 8-9.5) 7.24 13.55 -39.69 3 2 1 29 399.687 10 ↓
Mid Mid (pH 6-8) 7.24 13.26 -43.09 3 2 1 29 399.687 10 ↓

Activity (Go SEA)

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