UCSF

ZINC12617072

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 24 No

Popular Name: 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-dimethylaminophenyl)acetamide 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,…

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) 2.27 6.86 -14.44 1 6 0 70 329.4 4 ↓
Lo Low (pH 4.5-6) 2.27 7.62 -30.73 2 6 0 71 330.408 4 ↓
Lo Low (pH 4.5-6) 2.27 7.69 -31.3 2 6 0 71 330.408 4 ↓
Lo Low (pH 4.5-6) 2.27 7.62 -30.76 2 6 0 71 330.408 4 ↓

Activity (Go SEA)

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