UCSF

ZINC13748217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 29 No

Popular Name: (3R,3aS,6aR)-5-benzyl-2-phenyl-3-(4-pyridyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3R,3aS,6aR)-5-benzyl-2-phenyl-3…

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) 2.44 10.54 -42.58 1 6 1 64 386.431 4 ↓
Ref Reference (pH 7) 2.44 10.71 -40.41 1 6 1 64 386.431 4 ↓
Mid Mid (pH 6-8) 2.44 10.25 -11.14 0 6 0 63 385.423 4 ↓
Mid Mid (pH 6-8) 2.44 10.08 -8.66 0 6 0 63 385.423 4 ↓

Activity (Go SEA)

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