UCSF

ZINC69812901

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 No

Popular Name: N-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]-2-thioxo-1H-pyridine-3-carboxamide N-[3-chloro-4-(1,2,4-triazol-1-y…

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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) 1.16 8.89 -37.51 2 6 0 76 331.788 3 ↓
Mid Mid (pH 6-8) 1.89 8.58 -66.06 1 6 -1 73 330.78 3 ↓

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

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