UCSF

ZINC33755070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 27 No

Popular Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, ethyl methyl ester; Ethyl methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; LS-131339 3,5-Pyridinedicarboxylic acid, 1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.19 11.66 -16.99 0 8 0 102 374.393 7 ↓

Activity (Go SEA)

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