UCSF

ZINC48942223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 Yes

Popular Name: N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]-1H-triazole-4-carboxamide N-[5-(2-pyridyl)-1,3,4-thiadiazo…

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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) 0.41 0.9 -14.56 2 8 0 109 273.281 3 ↓
Hi High (pH 8-9.5) 0.47 -0.72 -113.52 0 8 -2 114 271.265 3 ↓
Mid Mid (pH 6-8) 0.41 0.88 -42.07 1 8 -1 108 272.273 3 ↓

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

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