UCSF

ZINC65494922

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: [(3aS,4S,6S,6aR)-2-ethyl-4-(o-tolyl)-6-phenyl-1,3,3a,4,5,6a-hexahydropyrrolo[3,4-c]pyrrol-6-yl]metha [(3aS,4S,6S,6aR)-2-ethyl-4-(o-to…

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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) 3.97 7.87 -37.61 3 3 1 37 337.487 4 ↓
Hi High (pH 8-9.5) 3.97 5.39 -4.19 2 3 0 35 336.479 4 ↓

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

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