UCSF

ZINC66066598

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 34 No

Popular Name: (1S)-3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-cyclopent- (1S)-3-ethyl-4-methyl-N-[2-[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) 3.38 6 -123.03 2 8 -2 134 487.622 9 ↓
Mid Mid (pH 6-8) 3.38 5.38 -65.92 3 8 -1 131 488.63 9 ↓
Lo Low (pH 4.5-6) 3.76 7.32 -20.31 4 8 0 125 489.638 8 ↓

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

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