UCSF

ZINC39265353

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 29 Yes

Popular Name: 4-[[4-[6-(3-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[6-(3-methylanilino)pyrimi…

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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) 4.04 12.02 -35.86 2 6 1 69 385.495 5 ↓
Mid Mid (pH 6-8) 4.04 12.79 -38.28 2 6 1 69 385.495 5 ↓
Mid Mid (pH 6-8) 4.04 12.4 -10.6 1 6 0 68 384.487 5 ↓
Mid Mid (pH 6-8) 4.04 15.01 -117.09 3 6 2 71 386.503 5 ↓
Mid Mid (pH 6-8) 4.04 14.64 -56.85 2 6 1 69 385.495 5 ↓
Lo Low (pH 4.5-6) 4.04 14.25 -105.8 3 6 2 71 386.503 5 ↓

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