| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 32 | No |
Popular Name: ISOPPADS ISOPPADS
| 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) | -4.31 | -3.32 | -320.92 | 1 | 15 | -4 | 262 | 507.351 | 8 | ↓ |
| Hi High (pH 8-9.5) | -4.31 | -2.32 | -422.37 | 0 | 15 | -5 | 265 | 506.343 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1-1-E | P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 43 | 0.32 | Functional ≤ 10μM |
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.28 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 84 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1_RAT | P47824 | P2X Purinoceptor 1, Rat | 43 | 0.32 | Functional ≤ 10μM |
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 400 | 0.28 | Functional ≤ 10μM |
| P2RX2_RAT | P49653 | P2X Purinoceptor 2, Rat | 398 | 0.28 | Functional ≤ 10μM |
| P2RX3_HUMAN | P56373 | P2X Purinoceptor 3, Human | 108 | 0.30 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 74 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Elevation of cytosolic Ca2+ levels | |
| Platelet homeostasis |
No pre-computed analogs available. Try a structural similarity search.