| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 17 | No |
| 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) | 2.89 | 2.82 | -36.99 | 1 | 2 | 1 | 21 | 232.347 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 9770 | 0.41 | Functional ≤ 10μM |
| Z80362-7-O | P388 (Lymphoma Cells) (cluster #7 Of 8), Other | Other | 1700 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 9770 | 0.41 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1700 | 0.48 | Functional ≤ 10μM |
