UCSF

ZINC36159902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 Yes

CAS Number: 688348-25-6

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) 6.46 10.55 -3.3 0 0 0 0 283.585 2

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 13 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AHR_RABIT O02747 Aryl Hydrocarbon Receptor, Rabit 13 0.65 Binding ≤ 1μM
AHR_RABIT O02747 Aryl Hydrocarbon Receptor, Rabit 13 0.65 Binding ≤ 10μM

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