UCSF

ZINC39912267

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3aR,4R)-5-benzyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrro (3aR,4R)-5-benzyl-3-(2-hydroxy-3…

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) 6.53 13.42 -16.33 2 7 0 88 525.649 10 ↓
Hi High (pH 8-9.5) 6.30 13.97 -46.21 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.30 13.65 -57.83 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.53 14.55 -40.78 1 7 -1 91 524.641 10 ↓

Activity (Go SEA)

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