| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 21 | No |
Popular Name: [(2R,3S,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoyl-1,…
| 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) | -3.44 | -5.83 | -138.91 | 4 | 12 | -2 | 196 | 322.17 | 5 | ↓ |
| Mid Mid (pH 6-8) | -3.44 | -6.98 | -50.24 | 5 | 12 | -1 | 193 | 323.178 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IMDH1-1-E | Inosine-5'-monophosphate Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4180 | 0.36 | Binding ≤ 10μM |
| IMDH2-1-E | Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4180 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IMDH1_MOUSE | P50096 | Inosine-5'-monophosphate Dehydrogenase 1, Mouse | 2240 | 0.38 | Binding ≤ 10μM |
| IMDH2_MOUSE | P24547 | Inosine-5'-monophosphate Dehydrogenase 2, Mouse | 2240 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine ribonucleoside monophosphate biosynthesis |
