UCSF

ZINC09420944

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 No

Popular Name: 4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-5-[[3-(trifluoromethyl)phenyl]aminomethylene]pyridine-3-car 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) 2.33 7.01 -24.72 1 7 0 87 434.418 6 ↓
Hi High (pH 8-9.5) 2.84 6.01 -37.7 0 7 -1 94 433.41 6 ↓
Lo Low (pH 4.5-6) 2.33 9.47 -48.93 2 7 1 89 435.426 6 ↓
Lo Low (pH 4.5-6) 2.33 9.29 -49.33 2 7 1 89 435.426 6 ↓

Activity (Go SEA)

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