UCSF

ZINC26940147

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 23 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) 1.72 7.97 -36.62 1 5 1 45 316.425 3
Hi High (pH 8-9.5) 1.72 5.56 -11.29 0 5 0 44 315.417 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BKRB2-1-E Bradykinin B2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BKRB2_HUMAN P30411 Bradykinin B2 Receptor, Human 6.3 0.50 Binding ≤ 1μM
BKRB2_HUMAN P30411 Bradykinin B2 Receptor, Human 6.3 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Peptide ligand-binding receptors

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