UCSF

ZINC40664261

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 37 No

Popular Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(prop-2-ynylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-ca 2-butyl-5-methylsulfanyl-3-[[4-[…

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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) 4.10 8.42 -132.91 1 9 -2 140 538.651 12 ↓
Mid Mid (pH 6-8) 4.10 8.68 -108.03 2 9 -1 141 539.659 12 ↓
Lo Low (pH 4.5-6) 4.47 10.05 -61.42 3 9 0 134 540.667 11 ↓

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

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