In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 38 | Yes |
Popular Name: butyl butyl
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) | 7.21 | 16 | -45.62 | 0 | 8 | -1 | 97 | 507.618 | 12 | ↓ |
Lo Low (pH 4.5-6) | 7.21 | 16.23 | -52.32 | 1 | 8 | 0 | 98 | 508.626 | 12 | ↓ |
Lo Low (pH 4.5-6) | 7.21 | 16.1 | -14.23 | 1 | 8 | 0 | 99 | 508.626 | 12 | ↓ |
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 | 1200 | 0.22 | Binding ≤ 10μM |
AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.22 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 1200 | 0.22 | Binding ≤ 10μM |
AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 1200 | 0.22 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Peptide ligand-binding receptors |