UCSF

ZINC01567332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 22 Yes

Popular Name: 64762-53-4; 7-methyl-3-(2-(7-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)[1,2,4]triazolo[4,3-a]pyridine; nsc303530 64762-53-4; 7-methyl-3-(2-(7-met…

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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) 2.59 11.65 -26.01 0 6 0 60 292.346 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTSI-2-B CpG DNA Methylase (cluster #2 Of 2), Bacterial Bacteria 400 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTSI_SPISQ P15840 CpG DNA Methylase, Spisq 400 0.41 Binding ≤ 1μM
MTSI_SPISQ P15840 CpG DNA Methylase, Spisq 400 0.41 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.