| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 26 | Yes |
Popular Name: 5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-N2-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine 5-(5-iodo-2-isopropyl-4-methoxy-…
None
| 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) | 5.08 | 8.4 | -6.58 | 3 | 6 | 0 | 82 | 482.244 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.36 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 79 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 199.526231 | 0.36 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 79.4328235 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
