UCSF

ZINC28530864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 53 No

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) 5.64 9.87 -31.51 7 13 0 192 717.827 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCKAR-1-E Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 817 0.16 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCKAR_RAT P30551 Cholecystokinin A Receptor, Rat 817 0.16 Binding ≤ 1μM
CCKAR_RAT P30551 Cholecystokinin A Receptor, Rat 817 0.16 Binding ≤ 10μM

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