UCSF

ZINC11907974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 No

Popular Name: (3R,3aS,6aR)-2-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-5-ethyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]iso (3R,3aS,6aR)-2-(4-chlorophenyl)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.49 9.75 -7.69 0 6 0 53 399.878 4 ↓
Ref Reference (pH 7) 3.49 9.93 -10.34 0 6 0 53 399.878 4 ↓
Mid Mid (pH 6-8) 3.49 10.71 -19.64 1 6 0 54 400.886 4 ↓
Mid Mid (pH 6-8) 3.49 10.52 -19.41 1 6 0 54 400.886 4 ↓

Activity (Go SEA)

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