UCSF

ZINC34602600

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 39 Yes

Popular Name: N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(1-piperidyl)-1-piperidyl]pyrimidin-2-yl]amino]methyl]phenyl]me N'-cyclohexyl-N-[[4-[[[4-methyl-…

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Download: MOL2 SDF SMILES Flexibase

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) 5.52 16.61 -85.17 5 7 2 74 535.825 12 ↓
Mid Mid (pH 6-8) 5.52 17.96 -171.81 6 7 3 79 536.833 12 ↓
Lo Low (pH 4.5-6) 5.52 18.23 -236.68 7 7 4 80 537.841 12 ↓

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