| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 24 | No |
Popular Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-cyclohexyliminomethyl]-5-methyl-1H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-4-[(E)…
| 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) | 3.92 | 9.37 | -25.58 | 1 | 5 | 0 | 60 | 340.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 8.46 | -20.84 | 1 | 5 | 0 | 63 | 340.452 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
