UCSF

ZINC13607308

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 18 Yes

Popular Name: CAY10464 CAY10464

Find On: PubMed — Wikipedia — Google

CAS Number: 688348-37-0

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) 5.84 9.67 -4.41 0 1 0 9 279.166 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AHR-1-E Aryl Hydrocarbon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.70 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AHR_RABIT O02747 Aryl Hydrocarbon Receptor, Rabit 1.4 0.69 Binding ≤ 1μM
AHR_RABIT O02747 Aryl Hydrocarbon Receptor, Rabit 1.4 0.69 Binding ≤ 10μM

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

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