UCSF

ZINC34602537

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 40 Yes

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

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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) 5.49 14.91 -43.46 4 7 1 73 542.796 13 ↓
Mid Mid (pH 6-8) 5.49 16.27 -120.04 5 7 2 77 543.804 13 ↓
Mid Mid (pH 6-8) 5.49 17.15 -89.66 5 7 2 74 543.804 13 ↓
Mid Mid (pH 6-8) 5.49 18.51 -177.58 6 7 3 79 544.812 13 ↓
Mid Mid (pH 6-8) 5.49 15.26 -74.82 5 7 2 74 543.804 13 ↓
Lo Low (pH 4.5-6) 5.49 18.85 -244.1 7 7 4 80 545.82 13 ↓

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