UCSF

ZINC67740123

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 Yes

Popular Name: (3aR,6aR)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a (3aR,6aR)-N-[3-(1H-benzimidazol-…

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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) 1.40 2.44 -51.7 4 6 1 78 328.44 5 ↓
Hi High (pH 8-9.5) 1.40 1 -12.83 3 6 0 73 327.432 5 ↓
Lo Low (pH 4.5-6) 1.40 5.6 -169.48 6 6 3 80 330.456 5 ↓
Lo Low (pH 4.5-6) 1.40 4.16 -85.31 5 6 2 75 329.448 5 ↓
Lo Low (pH 4.5-6) 1.40 2.9 -92.11 5 6 2 79 329.448 5 ↓

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

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