UCSF

ZINC24989443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 27 Yes

Popular Name: (2S)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanami (2S)-2-[[(1S,2R,3R)-2,3-dimethyl…

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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) 3.31 6.53 -51.58 3 6 1 83 396.577 6 ↓
Hi High (pH 8-9.5) 3.31 5.34 -17.76 2 6 0 79 395.569 6 ↓

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

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