UCSF

ZINC66626180

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2011 19 No

Popular Name: 3-chloro-4-hydroxy-N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 3-chloro-4-hydroxy-N-[(4-methyl-…

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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) 0.53 3.3 -16.6 3 6 0 83 298.755 3 ↓
Hi High (pH 8-9.5) 1.26 3.83 -84.3 1 6 -2 83 296.739 3 ↓
Mid Mid (pH 6-8) 1.26 3.05 -43.62 2 6 -1 80 297.747 3 ↓

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

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