UCSF

ZINC49348911

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 Yes

Popular Name: N-[2-(5-chloro-2-thienyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(5-chloro-2-thienyl)ethyl]-…

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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) 0.84 1.22 -10.49 3 6 0 91 272.717 4 ↓
Mid Mid (pH 6-8) 1.30 -1.32 -45.93 2 6 -1 94 271.709 4 ↓
Lo Low (pH 4.5-6) 1.30 -0.23 -26.34 3 6 0 95 272.717 4 ↓

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

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