UCSF

ZINC18069117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 26 No

Popular Name: (3S,3aR,6aR)-3-(2,4-dimethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione (3S,3aR,6aR)-3-(2,4-dimethoxyphe…

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) 2.31 2.13 -47.32 0 7 -1 83 353.354 4 ↓
Ref Reference (pH 7) 2.31 2.83 -42.23 0 7 -1 83 353.354 4 ↓
Lo Low (pH 4.5-6) 2.13 5.38 -8.31 1 7 0 77 354.362 4 ↓

Activity (Go SEA)

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