UCSF

ZINC13464795

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 29 No

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

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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) 3.74 10.66 -14.99 0 7 0 83 432.933 5 ↓
Ref Reference (pH 7) 3.74 10.73 -15.03 0 7 0 83 432.933 5 ↓
Ref Reference (pH 7) 3.74 10.66 -14.99 0 7 0 83 432.933 5 ↓

Activity (Go SEA)

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