| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 21 | Yes |
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) | 5.38 | 7.58 | -9.1 | 2 | 2 | 0 | 40 | 280.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 8.36 | -47.17 | 1 | 2 | -1 | 43 | 279.359 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 3), Other | Other | 1900 | 0.38 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583 | Z80583 | Vero (Kidney Cells) | 1900 | 0.38 | ADME/T ≤ 10μM |
