UCSF

ZINC64543336

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 20 Yes

Popular Name: 5-isobutyl-2-(4-pyridyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine 5-isobutyl-2-(4-pyridyl)-4,6,7,8…

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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) 2.07 8.36 -45.89 1 4 1 35 271.388 3 ↓
Hi High (pH 8-9.5) 2.07 6.66 -8.13 0 4 0 34 270.38 3 ↓
Lo Low (pH 4.5-6) 2.07 8.83 -85.1 2 4 2 36 272.396 3 ↓

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

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