UCSF

ZINC39301262

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 Yes

Popular Name: [3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [3-[[6-(N,3-dimethylanilino)pyri…

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Vendors

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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) 2.90 8.43 -13.41 2 8 0 85 446.555 7 ↓
Lo Low (pH 4.5-6) 2.90 10.73 -47.59 3 8 1 86 447.563 7 ↓

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