UCSF

ZINC58305152

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 2-(5-chloro-2-methoxy-phenyl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(5-chloro-2-methoxy-phenyl)-N-…

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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) 2.50 7.23 -12.03 2 7 0 96 343.774 4 ↓
Mid Mid (pH 6-8) 2.51 6.48 -55.27 1 7 -1 99 342.766 5 ↓

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

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