UCSF

ZINC01717024

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 36 No

Popular Name: 2-[2-(chrysen-6-ylcarbamoyl)phenyl]benzoate 2-[2-(chrysen-6-ylcarbamoyl)phen…

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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) 7.55 1.18 -74.12 1 4 -1 69 466.516 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8T8E9-1-E UDP-galactose 4-epimerase (cluster #1 Of 1), Eukaryotic Eukaryotes 2600 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8T8E9_9TRYP Q8T8E9 UDP-galactose 4-epimerase, 9tryp 2600 0.22 Binding ≤ 10μM

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

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