UCSF

ZINC67489814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: 6-chloro-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide 6-chloro-N-[[2-(4-methylpiperazi…

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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) 1.08 9.81 -38.77 2 8 1 80 386.867 4 ↓
Hi High (pH 8-9.5) 1.08 7.46 -12.43 1 8 0 79 385.859 4 ↓
Mid Mid (pH 6-8) 1.08 7.93 -37.49 2 8 1 80 386.867 4 ↓
Mid Mid (pH 6-8) 1.08 10.28 -93.21 3 8 2 81 387.875 4 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.