| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 26 | No |
Popular Name: 4-[(allylimino)methyl]-2-(1,3-benzothiazol-2-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-[(allylimino)methyl]-2-(1,3-be…
| 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) | 4.17 | 8.68 | -13.9 | 1 | 5 | 0 | 63 | 360.442 | 5 | ↓ |
| Ref Reference (pH 7) | 4.17 | 9.14 | -16.33 | 1 | 5 | 0 | 63 | 360.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 10.15 | -35.3 | 2 | 5 | 1 | 65 | 361.45 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 9.72 | -36.66 | 2 | 5 | 1 | 65 | 361.45 | 5 | ↓ |
