UCSF

ZINC13560845

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 Yes

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) 3.84 11.61 -59.94 0 6 -1 84 385.447 5
Mid Mid (pH 6-8) 3.84 12.04 -66.45 1 6 0 85 386.455 5
Lo Low (pH 4.5-6) 3.84 11.86 -59.1 1 6 0 85 386.455 5
Lo Low (pH 4.5-6) 3.84 12.29 -104.96 2 6 1 86 387.463 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTRB-1-E Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 819 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 819 0.29 Binding ≤ 1μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 819 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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