| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2006 | 24 | No |
Popular Name: 2-benzothiazol-2-yl-4-(3-hydroxypropylaminomethylene)-5-propyl-pyrazol-3-one 2-benzothiazol-2-yl-4-(3-hydroxy…
| 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) | 2.79 | 5.65 | -44.38 | 3 | 6 | 1 | 85 | 345.448 | 7 | ↓ |
| Ref Reference (pH 7) | 2.73 | 5.77 | -29.82 | 2 | 6 | 0 | 80 | 344.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 2.98 | -13.96 | 2 | 6 | 0 | 84 | 344.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 4.64 | -21.81 | 2 | 6 | 0 | 83 | 344.44 | 7 | ↓ |
