UCSF

ZINC13560847

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 5.25 13.75 -61.87 0 6 -1 84 435.507 5
Mid Mid (pH 6-8) 5.25 14.18 -59.57 1 6 0 85 436.515 5
Lo Low (pH 4.5-6) 5.25 14.02 -67.83 1 6 0 85 436.515 5
Lo Low (pH 4.5-6) 5.25 14.45 -105.47 2 6 1 86 437.523 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 17 0.33 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 17 0.33 Binding ≤ 1μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 17 0.33 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% )