UCSF

ZINC05017776

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 18 Yes

Popular Name: 2,2'-Bipyridine-5,5'-dicarboxylic acid 2,2'-Bipyridine-5,5'-dicarboxyli…

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CAS Numbers: 1802-30-8 , 695-34-1 , [1802-30-8]

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) 0.60 4.08 -90.11 0 6 -2 106 242.19 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 365 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
MP >360° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P4HTM_HUMAN Q9NXG6 Hypoxia-inducible Factor Prolyl 4-hydroxylase, Human 185 0.52 Binding ≤ 1μM
P4HTM_HUMAN Q9NXG6 Hypoxia-inducible Factor Prolyl 4-hydroxylase, Human 185 0.52 Binding ≤ 10μM

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