| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 5-ethyl-1-[(2S,4R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone 5-ethyl-1-[(2S,4R,5S)-4-hydroxy-…
| 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) | -0.97 | -3.76 | -11.23 | 3 | 7 | 0 | 105 | 256.258 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0145739A1; EP0272446A1; EP0272446B1; EP0273169A2; EP0274025A2; EP0539493A1; EP0539493B1; EP0559744A1; EP0569533A1; EP0586523A1; EP0594667A1; EP0746319A1; EP0831849A1; EP0833665A1; EP0879288A1; EP0910654A1; EP1005377A2; EP1025212A2; US4182859; US4210638 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 900 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 1500 | 0.45 | Functional ≤ 10μM |
