UCSF

ZINC39884080

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 No

Popular Name: [2-(4-methylanilino)-2-oxo-ethyl]-trioxo-(3-pyridyl)BLAHcarboxamide [2-(4-methylanilino)-2-oxo-ethyl…

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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) 0.95 7.24 -22.63 3 10 0 144 509.569 4 ↓
Mid Mid (pH 6-8) 0.71 5.87 -56.32 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.39 -54.76 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.48 -54.76 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.74 -64.54 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.82 -65.05 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.4 -62.67 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.48 -62.76 2 10 -1 148 508.561 5 ↓
Mid Mid (pH 6-8) 0.71 5.78 -56.36 2 10 -1 148 508.561 5 ↓

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