In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 34 | Yes |
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) | 4.06 | 11.17 | -106.67 | 0 | 9 | -2 | 120 | 452.474 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 12.12 | -76.08 | 1 | 9 | -1 | 121 | 453.482 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 12.21 | -45.26 | 2 | 9 | 0 | 123 | 454.49 | 8 | ↓ |
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 | 580 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 580 | 0.26 | Binding ≤ 1μM |
AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 580 | 0.26 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Peptide ligand-binding receptors |