UCSF

ZINC65151668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 26 Yes

Popular Name: 2-[8-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-isopentyl-acetamide 2-[8-(azepan-1-yl)-3-oxo-[1,2,4]…

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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) 1.98 9.2 -16.44 1 8 0 85 360.462 6 ↓
Lo Low (pH 4.5-6) 1.98 9.48 -41.7 2 8 1 86 361.47 6 ↓

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

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