UCSF

ZINC28756945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 31 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) 5.69 14.44 -70.33 0 5 -1 75 411.481 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_RABIT P34976 Angiotensin II Type 1a (AT-1a) Receptor, Rabit 200 0.30 Binding ≤ 1μM
AGTR1_RABIT P34976 Angiotensin II Type 1a (AT-1a) Receptor, Rabit 200 0.30 Binding ≤ 10μM

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