UCSF

ZINC26968241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 22 Yes

Popular Name: (1R,4aS,4bS,7S,8aS,10aS)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene (1R,4aS,4bS,7S,8aS,10aS)-1,4a,7-…

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) 5.14 10.38 -44.86 0 2 -1 40 303.466 2 ↓
Lo Low (pH 4.5-6) 5.14 9.26 -5.31 1 2 0 37 304.474 2 ↓

Activity (Go SEA)

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