| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 24 | Yes |
Popular Name: methyl methyl
| 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) | 2.94 | 7.61 | -18.01 | 1 | 6 | 0 | 82 | 334.368 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 7.94 | -55.18 | 0 | 6 | -1 | 85 | 333.36 | 7 | ↓ |
| 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 | 1500 | 0.34 | Binding ≤ 10μM |
| IMDH2-1-E | Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.34 | Binding ≤ 10μM |
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 730 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IMDH1_HUMAN | P20839 | Inosine-5'-monophosphate Dehydrogenase 1, Human | 1500 | 0.34 | Binding ≤ 10μM |
| IMDH2_HUMAN | P12268 | Inosine-5'-monophosphate Dehydrogenase 2, Human | 1400 | 0.34 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 730 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Purine ribonucleoside monophosphate biosynthesis |
