UCSF

ZINC67119178

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 21 No

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

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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) 1.31 4.82 -25.48 3 6 0 83 326.809 5 ↓
Hi High (pH 8-9.5) 2.04 5.37 -91.5 1 6 -2 83 324.793 5 ↓
Mid Mid (pH 6-8) 2.04 4.58 -55.59 2 6 -1 80 325.801 5 ↓

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

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