UCSF

ZINC09374512

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 3.37 7.94 -19.74 1 9 0 133 508.576 11 ↓
Mid Mid (pH 6-8) 3.37 -1.81 -23.14 2 9 0 130 509.584 11 ↓
Mid Mid (pH 6-8) 3.19 9.76 -24.07 2 9 0 127 509.584 11 ↓

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