UCSF

ZINC34602407

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 Yes

Popular Name: N'-cyclohexyl-N-[[4-[[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]methyl]phenyl]methyl] 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) 4.09 13.57 -87.56 5 7 2 74 467.706 11 ↓
Hi High (pH 8-9.5) 4.09 11.2 -43.02 4 7 1 73 466.698 11 ↓
Mid Mid (pH 6-8) 4.09 14.93 -173.75 6 7 3 79 468.714 11 ↓
Mid Mid (pH 6-8) 4.09 15.28 -236.37 7 7 4 80 469.722 11 ↓
Mid Mid (pH 6-8) 4.09 13.92 -138.9 6 7 3 75 468.714 11 ↓

Activity (Go SEA)

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