UCSF

ZINC65532002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

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

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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) 2.58 3.7 -191.26 5 6 3 74 356.494 4 ↓
Hi High (pH 8-9.5) 2.58 2.7 -196.92 5 6 3 77 356.494 4 ↓
Hi High (pH 8-9.5) 2.58 1.25 -115.79 4 6 2 72 355.486 4 ↓
Lo Low (pH 4.5-6) 2.58 5.14 -305.34 6 6 4 78 357.502 4 ↓

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

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