UCSF

ZINC67947192

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: N-[(5-chloro-1H-benzimidazol-2-yl)methyl]-N,5-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepi N-[(5-chloro-1H-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) 1.89 8.29 -54.7 2 7 1 71 373.868 3 ↓
Hi High (pH 8-9.5) 1.89 6.07 -19 1 7 0 70 372.86 3 ↓
Lo Low (pH 4.5-6) 1.89 9.06 -82.86 3 7 2 72 374.876 3 ↓

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

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