UCSF

ZINC39912044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Popular Name: (3aR,4S)-4-(4-butoxy-3-ethoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-pentyl-3a,4-dihydropyrrolo (3aR,4S)-4-(4-butoxy-3-ethoxy-ph…

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) 6.95 12.87 -14.63 2 7 0 88 505.659 12 ↓
Hi High (pH 8-9.5) 6.72 13.2 -57.74 0 7 -1 87 504.651 12 ↓
Hi High (pH 8-9.5) 6.72 13.21 -51.39 0 7 -1 87 504.651 12 ↓
Hi High (pH 8-9.5) 6.95 13.88 -44.12 1 7 -1 91 504.651 12 ↓

Activity (Go SEA)

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