| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 31 | 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) | 3.41 | 7.94 | -49.48 | 3 | 5 | 1 | 57 | 468.445 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 8.69 | -110.66 | 4 | 5 | 2 | 59 | 469.453 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 6 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 2.4 | 0.39 | Functional ≤ 10μM |
