UCSF

ZINC39912375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 Yes

Popular Name: (3aR,4R)-4-(4-butoxy-3-methoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(p-tolylmethyl)-3a,4-dihy (3aR,4R)-4-(4-butoxy-3-methoxy-p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.48 13.31 -16.46 2 7 0 88 525.649 9 ↓
Hi High (pH 8-9.5) 6.25 13.87 -46.41 0 7 -1 87 524.641 9 ↓
Hi High (pH 8-9.5) 6.25 13.56 -57.89 0 7 -1 87 524.641 9 ↓
Hi High (pH 8-9.5) 6.48 14.44 -41.02 1 7 -1 91 524.641 9 ↓

Activity (Go SEA)

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