UCSF

ZINC17988031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 21 No

Popular Name: (3aR,5S,7aR)-2-(4-bromo-3,5-dimethyl-phenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,5S,7aR)-2-(4-bromo-3,5-dime…

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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) 4.27 9.59 -5.99 0 3 0 37 350.256 1 ↓
Ref Reference (pH 7) 4.27 9.64 -7.54 0 3 0 37 350.256 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.