| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 21 | Yes |
| 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) | 3.18 | -0.18 | -4.29 | 1 | 2 | 0 | 24 | 284.309 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | -0.06 | -37.07 | 2 | 2 | 1 | 26 | 285.317 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | ATPase | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 7), Other | Other | 3300 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583 | Z80583 | Vero (Kidney Cells) | 3300 | 0.37 | Functional ≤ 10μM |
