| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 25 | Yes |
Popular Name: (2S)-2-[[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]propan-1-ol (2S)-2-[[4-amino-5-(5-iodo-2-iso…
| 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) | 3.85 | 5.53 | -8.15 | 4 | 7 | 0 | 103 | 458.3 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 5.88 | -31.2 | 5 | 7 | 1 | 104 | 459.308 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.44 | Functional ≤ 10μM |
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 32 | 0.42 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 31.6227766 | 0.42 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 10 | 0.45 | Functional ≤ 10μM |
