| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2009 | 31 | No |
Popular Name: LS-187725 LS-187725
Adenosine-5'-Triphosphate Disodium Salt Trihydrate [987-65-5]; (ATP)
ADENOSINE-5'-TRIPHOSPHATE DISODIUM SALT TRIHYDRATE; [51963-61-2]
Adeturon; LS-186711; S-2-Aminoethyl-isothiuronium adenosine triphosphate
| 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) | -3.54 | -2.41 | -369.31 | 4 | 18 | -4 | 290 | 503.15 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.54 | -3.57 | -231.04 | 5 | 18 | -3 | 288 | 504.158 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | H2O: 50 mg/mL | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.39 | Functional ≤ 10μM |
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 590 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_RAT | P49651 | Purinergic Receptor P2Y1, Rat | 590 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
