| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 16 | Yes |
Popular Name: 3-(1,3-Benzothiazol-2-yl)phenol 3-(1,3-Benzothiazol-2-yl)phenol
Find On: PubMed — Wikipedia — Google
CAS Number: 25389-28-0
| 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) | 3.79 | 4.93 | -9 | 1 | 2 | 0 | 33 | 227.288 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80244-2-O | MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other | Other | 50 | 0.64 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80244 | Z80244 | MDA-MB-468 (Breast Adenocarcinoma) | 50 | 0.64 | Functional ≤ 10μM |
