UCSF

ZINC34602539

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 37 Yes

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

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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) 5.53 15.77 -87.72 5 7 2 74 509.787 14 ↓
Hi High (pH 8-9.5) 5.53 13.55 -42.58 4 7 1 73 508.779 14 ↓
Mid Mid (pH 6-8) 5.53 17.12 -174.66 6 7 3 79 510.795 14 ↓
Mid Mid (pH 6-8) 5.53 16.11 -141.03 6 7 3 75 510.795 14 ↓
Lo Low (pH 4.5-6) 5.53 17.48 -239.36 7 7 4 80 511.803 14 ↓

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