UCSF

ZINC00174866

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: (3aS,7aS)-2-benzyl-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone (3aS,7aS)-2-benzyl-5-methyl-3a,4…

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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) 2.45 8.39 -5.57 0 3 0 37 255.317 2 ↓
Ref Reference (pH 7) 2.45 8.41 -5.53 0 3 0 37 255.317 2 ↓
Ref Reference (pH 7) 2.45 8.48 -7.06 0 3 0 37 255.317 2 ↓
Ref Reference (pH 7) 2.45 8.42 -6.6 0 3 0 37 255.317 2 ↓

Activity (Go SEA)

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