UCSF

ZINC28645580

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 16 Yes

Popular Name: DNC014787 DNC014787

Find On: PubMed — Wikipedia — Google

Other Names:

ISOLONGIFOLOL

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) 4.11 5.16 -1.81 1 1 0 20 222.372 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UD2B7-1-E UDP-glucuronosyltransferase 2B7 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UD2B7_HUMAN P16662 UDP-glucuronosyltransferase 2B7, Human 100 0.61 Binding ≤ 1μM
UD2B7_HUMAN P16662 UDP-glucuronosyltransferase 2B7, Human 100 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucuronidation

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

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