UCSF

ZINC66639220

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 No

Popular Name: 2-(4-chlorophenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(4-chlorophenoxy)-N-[(4-isopro…

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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) 1.53 7.78 -16.27 2 6 0 72 340.836 6 ↓
Mid Mid (pH 6-8) 2.26 7.59 -44.22 1 6 -1 69 339.828 6 ↓

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

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