UCSF

ZINC65527051

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: (3aS,6aS)-2-[[4-(o-tolyl)phenyl]methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-carboxylic (3aS,6aS)-2-[[4-(o-tolyl)phenyl]…

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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) 3.13 8.61 -57.51 2 4 0 60 336.435 4 ↓
Hi High (pH 8-9.5) 3.13 7.16 -53.05 1 4 -1 55 335.427 4 ↓
Lo Low (pH 4.5-6) 3.13 11.11 -90.86 3 4 1 61 337.443 4 ↓

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

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