UCSF

ZINC08739866

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 No

Popular Name: 4-[hydroxy-[1-(2-morpholinoethyl)-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-methyl]-N,N-dimethyl- 4-[hydroxy-[1-(2-morpholinoethyl…

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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) 0.28 3.24 -57.2 0 10 -1 123 499.569 8 ↓
Mid Mid (pH 6-8) 0.28 5.57 -75.96 1 10 0 124 500.577 8 ↓
Lo Low (pH 4.5-6) 0.72 -5.35 -131.5 3 10 2 122 502.593 7 ↓
Lo Low (pH 4.5-6) -0.31 -5.73 -121.92 2 10 2 119 502.593 8 ↓

Activity (Go SEA)

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