UCSF

ZINC53525987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 26 Yes

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

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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) 1.49 8.57 -15.47 2 8 0 105 345.366 4 ↓
Mid Mid (pH 6-8) 1.50 7.8 -55.95 1 8 -1 108 344.358 5 ↓
Lo Low (pH 4.5-6) 1.32 9.1 -20.13 2 8 0 101 345.366 5 ↓
Lo Low (pH 4.5-6) 1.32 9.11 -21.49 2 8 0 101 345.366 5 ↓

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

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