UCSF

ZINC66640841

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Substance Information

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

Popular Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamid 2-(4-chloro-3,5-dimethyl-pyrazol…

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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) 0.29 6.31 -18.45 2 7 0 81 342.856 5 ↓
Mid Mid (pH 6-8) 1.02 6.12 -47.23 1 7 -1 78 341.848 5 ↓

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

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