UCSF

ZINC08441996

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Popular Name: ethyl 5-cyano-4-[4-(methoxycarbonyl)phenyl]-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro-3-pyridinecarboxylate ethyl 5-cyano-4-[4-(methoxycarbo…

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Other Names:

MFCD02168112

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 5.02 3.37 -20.02 0 8 0 115 506.58 11 ↓
Mid Mid (pH 6-8) 5.40 2.57 -16.23 0 8 0 115 506.58 11 ↓
Mid Mid (pH 6-8) 5.58 1.79 -15.88 0 8 0 115 506.58 11 ↓

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