UCSF

ZINC67967975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 22 Yes

Popular Name: (3aR,7aS)-5-methyl-2-[6-(4-piperidyl)pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole (3aR,7aS)-5-methyl-2-[6-(4-piper…

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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) 2.57 9.43 -46.38 2 4 1 46 299.442 2 ↓
Mid Mid (pH 6-8) 2.57 10.1 -94.65 3 4 2 47 300.45 2 ↓

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Rings

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

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