| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 17 | Yes |
Popular Name: 1-[5-(aminomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione 1-[5-(aminomethyl)-4-hydroxy-tet…
| 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) | -2.00 | -8.04 | -58.77 | 5 | 7 | 1 | 111 | 242.255 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5212161 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_RAT | P27158 | Thymidine Kinase, Rat | 2400 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
