UCSF

ZINC03552709

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 28 Yes

Popular Name: [(1S)-1-[4-butyl-5-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl- [(1S)-1-[4-butyl-5-[[2-(2,6-dime…

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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) 3.45 12.35 -43.65 2 6 1 64 404.604 10 ↓
Mid Mid (pH 6-8) 3.45 10.61 -10.76 1 6 0 63 403.596 10 ↓

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