UCSF

ZINC33812522

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

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

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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) 1.91 15.52 -116.73 1 9 0 116 517.677 9 ↓
Mid Mid (pH 6-8) 1.91 10.49 -66.78 0 9 -1 114 516.669 9 ↓
Lo Low (pH 4.5-6) 1.91 11.84 -82.9 2 9 1 113 518.685 9 ↓

Activity (Go SEA)

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