UCSF

ZINC49917676

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 42 No

Popular Name: 2-(3,4-dichlorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]b 2-(3,4-dichlorophenyl)-N-[1-meth…

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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) 5.62 14.01 -43.72 5 11 1 153 626.55 7 ↓
Hi High (pH 8-9.5) 5.62 13.87 -23.29 4 11 0 151 625.542 7 ↓
Lo Low (pH 4.5-6) 5.44 15.12 -87.48 6 11 2 151 627.558 8 ↓

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

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