UCSF

ZINC06292575

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 28 No

Popular Name: 3-amino-2-[2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-but-2-enenitrile 3-amino-2-[2-[[4-(4-chlorophenyl…

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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) 2.46 9.74 -15.69 2 7 0 110 410.89 6 ↓
Mid Mid (pH 6-8) 2.55 0.04 -47.45 2 7 1 110 411.898 7 ↓

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