| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 17 | Yes |
Popular Name: BRD-A63759745-001-01-0 BRD-A63759745-001-01-0
Find On: PubMed — Wikipedia — Google
CAS Number: 6698-26-6
| 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) | 0.11 | 1.18 | -9.58 | 3 | 7 | 0 | 99 | 235.247 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 1.42 | -36.44 | 4 | 7 | 1 | 100 | 236.255 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | -2.98 | -29.7 | 4 | 7 | 1 | 100 | 236.255 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2800 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 2800 | 0.46 | Binding ≤ 10μM |
