| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 32 | No |
Popular Name: (4S)-4-[(dibutylamino)methyl]-5-(2-hydroxyphenyl)-2-(4-methylbenzoyl)-4H-pyrazol-3-one (4S)-4-[(dibutylamino)methyl]-5-…
| 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) | 5.73 | 13.48 | -51.52 | 2 | 6 | 1 | 74 | 436.576 | 10 | ↓ |
| Ref Reference (pH 7) | 5.73 | 13.09 | -47.04 | 2 | 6 | 1 | 74 | 436.576 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.73 | 14.25 | -55.07 | 1 | 6 | 0 | 77 | 435.568 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.73 | 12.35 | -45.6 | 0 | 6 | -1 | 76 | 434.56 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.73 | 12.09 | -44.94 | 0 | 6 | -1 | 76 | 434.56 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.73 | 14.28 | -55.39 | 1 | 6 | 0 | 77 | 435.568 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 11.6 | -17.41 | 1 | 6 | 0 | 73 | 435.568 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 11.32 | -16.97 | 1 | 6 | 0 | 73 | 435.568 | 10 | ↓ |
