| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 17 | Yes |
Popular Name: 3-(1,3-benzothiazol-2-yl)-5-chloro-2(1H)-pyridinone 3-(1,3-benzothiazol-2-yl)-5-chlo…
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CAS Number: 400074-15-9
| 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) | 3.49 | 5.24 | -15.3 | 1 | 3 | 0 | 46 | 262.721 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 3.52 | -49.66 | 0 | 3 | -1 | 49 | 261.713 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
