UCSF

ZINC39911830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

Popular Name: (3aR,4S)-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-pentoxyphenyl)-5-propyl-3a,4-dihydropyrrolo[3,4-c]py (3aR,4S)-3-(2-hydroxy-3,5-dimeth…

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) 6.40 10.95 -10.16 2 6 0 78 447.579 9 ↓
Hi High (pH 8-9.5) 6.17 11.57 -53.93 0 6 -1 77 446.571 9 ↓
Hi High (pH 8-9.5) 6.17 11.36 -52.72 0 6 -1 77 446.571 9 ↓
Hi High (pH 8-9.5) 6.40 11.9 -46.3 1 6 -1 81 446.571 9 ↓

Activity (Go SEA)

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