UCSF

ZINC27529422

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 26 No

Popular Name: (3aS,7aR)-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[3-(4-methylpiperazi…

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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) 1.53 9.01 -49.5 1 6 1 62 356.446 2 ↓
Mid Mid (pH 6-8) 1.53 6.74 -17.28 0 6 0 61 355.438 2 ↓
Mid Mid (pH 6-8) 1.53 6.7 -15.6 0 6 0 61 355.438 2 ↓
Mid Mid (pH 6-8) 1.53 6.66 -14.05 0 6 0 61 355.438 2 ↓
Mid Mid (pH 6-8) 1.53 6.66 -13.95 0 6 0 61 355.438 2 ↓

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