| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2008 | 25 | No |
Popular Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-[(E)-3-methoxypropyliminomethyl]-5-propyl-4H-pyrazol-3-one (4S)-2-(1,3-benzothiazol-2-yl)-4…
| 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) | 3.34 | 8.17 | -28.79 | 1 | 6 | 0 | 69 | 358.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 5.37 | -12.92 | 1 | 6 | 0 | 73 | 358.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 4.79 | -11.64 | 1 | 6 | 0 | 73 | 358.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 7.05 | -20.7 | 1 | 6 | 0 | 72 | 358.467 | 8 | ↓ |
