| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 15 | Yes |
Popular Name: 2(3H)-Benzothiazolone, 4-hydroxy-7-[2-(methylamino)ethyl]- (9CI) 2(3H)-Benzothiazolone, 4-hydroxy…
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CAS Number: 108773-18-8
| 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) | 1.47 | 1.32 | -64.81 | 3 | 4 | 0 | 73 | 224.285 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-1-O | Oryctolagus Cuniculus (cluster #1 Of 8), Other | Other | 6 | 0.77 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 6 | 0.77 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.