UCSF

ZINC67742846

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-methyl-1H-benzimidazole N-[(7S,8aS)-2-methyl-3,4,6,7,8,8…

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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) 0.69 4.54 -52.68 3 6 1 65 314.413 2 ↓
Hi High (pH 8-9.5) 0.69 2.18 -17.4 2 6 0 64 313.405 2 ↓
Lo Low (pH 4.5-6) 0.69 4.98 -76.12 4 6 2 67 315.421 2 ↓

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

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