| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2009 | 21 | Yes |
Popular Name: 6-chloro-7-[2-(dipropylamino)ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one 6-chloro-7-[2-(dipropylamino)eth…
| 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) | 4.08 | 6.67 | -50.88 | 2 | 4 | 0 | 60 | 328.865 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 5.42 | -107.87 | 1 | 4 | -1 | 63 | 327.857 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 6.02 | -41.61 | 3 | 4 | 1 | 58 | 329.873 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 50 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 50 | 0.49 | Functional ≤ 10μM |
