| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 19 | No |
None
| 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) | -0.67 | -1.79 | -22.76 | 3 | 7 | 0 | 105 | 380.138 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | -4.47 | -62.59 | 2 | 7 | -1 | 108 | 379.13 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 4400 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 10 | 0.59 | Functional ≤ 10μM |
