UCSF

ZINC40554205

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 No

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

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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) 0.16 3.07 -13.73 3 7 0 114 303.347 6 ↓
Mid Mid (pH 6-8) 0.62 0.52 -51.25 2 7 -1 118 302.339 6 ↓
Lo Low (pH 4.5-6) 0.62 1.62 -28.33 3 7 0 119 303.347 6 ↓

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

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