| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 36 | No |
Popular Name: 4-benzoyl-1-(4,6-dimethylbenzothiazol-2-yl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one 4-benzoyl-1-(4,6-dimethylbenzoth…
| 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) | 6.37 | 14.79 | -60.45 | 0 | 6 | -1 | 83 | 497.596 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.82 | 12.96 | -32.59 | 1 | 6 | 0 | 80 | 498.604 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.79 | 13.99 | -21.04 | 0 | 6 | 0 | 77 | 498.604 | 7 | ↓ |
