UCSF

ZINC39264736

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 Yes

Popular Name: [3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone [3-[[4-(3-methylanilino)pyrimidi…

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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) 3.70 13.43 -46.07 3 7 1 75 403.51 5 ↓
Mid Mid (pH 6-8) 3.70 11.08 -13.37 2 7 0 73 402.502 5 ↓
Lo Low (pH 4.5-6) 3.70 13.83 -95.07 4 7 2 76 404.518 5 ↓

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