UCSF

ZINC00823481

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 33 No

Popular Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylic-acid-diethyl-ester 2,6-dimethyl-4-(3-nitrophenyl)-1…

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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) 6.26 5.53 -10.17 0 8 0 101 450.491 9 ↓

Vendor Notes

Note Type Comments Provided By
mp 271 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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