UCSF

ZINC65506372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 Yes

Popular Name: (3-hydroxy-2-pyridyl)-[2-(1-methylbenzimidazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin- (3-hydroxy-2-pyridyl)-[2-(1-meth…

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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) 2.10 9.44 -61.53 0 8 -1 92 387.423 2 ↓
Mid Mid (pH 6-8) 2.10 8.43 -17.94 1 8 0 89 388.431 2 ↓
Mid Mid (pH 6-8) 2.10 7.27 -30.65 1 8 0 93 388.431 2 ↓
Lo Low (pH 4.5-6) 2.10 8.79 -34.7 2 8 1 90 389.439 2 ↓
Lo Low (pH 4.5-6) 2.10 7.62 -53.77 2 8 1 94 389.439 2 ↓

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

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