UCSF

ZINC09422179

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 No

Popular Name: 4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-5-[[2-(1-piperidyl)phenyl]aminomethylene]pyridine-3-carboni 4-methyl-1-(2-morpholinoethyl)-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) 2.42 9.26 -19.91 1 8 0 91 449.555 6 ↓
Lo Low (pH 4.5-6) 2.42 11.64 -42.81 2 8 1 92 450.563 6 ↓
Lo Low (pH 4.5-6) 2.42 11.52 -44.95 2 8 1 92 450.563 6 ↓

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

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