UCSF

ZINC06566907

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 28 No

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

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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) 3.82 10.8 -20.97 2 6 0 98 399.495 6 ↓
Mid Mid (pH 6-8) 3.91 0.82 -48.65 2 6 1 97 400.503 7 ↓

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