UCSF

ZINC33812630

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

Popular Name: 6-[(5E)-5-[[5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1-propyl-3-pyridyl]methylene]-4-oxo-2- 6-[(5E)-5-[[5-cyano-4-methyl-2-(…

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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) 2.41 16.28 -117.56 1 9 0 116 531.704 10 ↓
Mid Mid (pH 6-8) 2.41 11.26 -66.34 0 9 -1 114 530.696 10 ↓
Lo Low (pH 4.5-6) 2.41 12.61 -83.67 2 9 1 113 532.712 10 ↓

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