UCSF

ZINC39912010

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3aR,4S)-4-(4-benzyloxy-3-methoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-pentyl-3a,4-dihydropyr (3aR,4S)-4-(4-benzyloxy-3-methox…

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) 6.73 13.42 -16.09 2 7 0 88 525.649 10 ↓
Hi High (pH 8-9.5) 6.50 13.75 -59.6 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.50 13.77 -53.08 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.73 14.43 -45.44 1 7 -1 91 524.641 10 ↓

Activity (Go SEA)

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