UCSF

ZINC19901146

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 No

Popular Name: ethyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate ethyl 5-cyano-4-(2-ethoxyphenyl)…

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Other Names:

MFCD03290638

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) 3.04 9.46 -53.2 2 9 -1 133 508.576 11 ↓
Mid Mid (pH 6-8) 3.19 9.39 -26.56 2 9 0 127 509.584 11 ↓
Mid Mid (pH 6-8) 2.48 9.77 -56.95 2 9 -1 133 508.576 10 ↓

Activity (Go SEA)

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