| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 35 | Yes |
Popular Name: ethyl ethyl
| 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) | 4.76 | 11.37 | -62.49 | 1 | 9 | -1 | 117 | 473.557 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 12.02 | -51.92 | 2 | 9 | 0 | 118 | 474.565 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.76 | 12.2 | -37.81 | 3 | 9 | 1 | 120 | 475.573 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.76 | 11.46 | -21.74 | 2 | 9 | 0 | 119 | 474.565 | 10 | ↓ |
| 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 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 200 | 0.27 | Binding ≤ 1μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 200 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
