| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(p-tolyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…
| 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) | 3.64 | 11.41 | -56.79 | 0 | 6 | -1 | 83 | 439.491 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 10.16 | -28.47 | 1 | 6 | 0 | 80 | 440.499 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 11.19 | -20.26 | 0 | 6 | 0 | 77 | 440.499 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 10.44 | -59.75 | 2 | 6 | 1 | 81 | 441.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 11.47 | -60.04 | 1 | 6 | 1 | 78 | 441.507 | 8 | ↓ |
