| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 25 | No |
Popular Name: 4-THIOURIDINE5'-DIPHOSPHATEAMMONIUM 4-THIOURIDINE5'-DIPHOSPHATEAMMONIUM
Find On: PubMed — Wikipedia — Google
CAS Number: 108322-05-0
| 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) | -2.96 | -4.11 | -335.1 | 2 | 13 | -4 | 212 | 416.197 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.96 | -5.27 | -203.78 | 3 | 13 | -3 | 210 | 417.205 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY6-1-E | Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.40 | Functional ≤ 10μM |
| P2Y14-1-E | P2Y Purinoceptor 14 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 320 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y14_HUMAN | Q15391 | Purinergic Receptor P2Y14, Human | 320 | 0.36 | Functional ≤ 10μM |
| P2RY6_HUMAN | Q15077 | Pyrimidinergic Receptor P2Y6, Human | 2360 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| P2Y receptors |
No pre-computed analogs available. Try a structural similarity search.