UCSF

ZINC67051164

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 24 No

Popular Name: 2-(4-chlorophenyl)-2-ethyl-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]butanamide 2-(4-chlorophenyl)-2-ethyl-N-[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) 2.94 9.13 -22.87 2 5 0 63 366.918 7 ↓
Mid Mid (pH 6-8) 3.66 9.05 -53.29 1 5 -1 60 365.91 7 ↓

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

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