UCSF

ZINC65525945

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 29 No

Popular Name: [(3aS)-2-(2H-benzimidazol-2-yl)-1,3a,4,6,7,8-hexahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[2-(methyla [(3aS)-2-(2H-benzimidazol-2-yl)-…

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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) 1.67 5.53 -112.58 4 8 2 88 391.479 3 ↓
Lo Low (pH 4.5-6) 1.67 5.9 -156.41 5 8 3 90 392.487 3 ↓

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

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