UCSF

ZINC53527578

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 26 No

Popular Name: 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]benzamide 4-(5-methyl-3,4-dihydropyrazol-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) 2.16 7.22 -61.6 1 8 -1 105 346.374 4 ↓
Mid Mid (pH 6-8) 2.09 8.5 -60.91 1 8 -1 97 346.374 4 ↓
Mid Mid (pH 6-8) 2.09 8.67 -17.31 2 8 0 99 347.382 4 ↓

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

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