| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 34 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(3-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) | 3.27 | 10.67 | -53.9 | 0 | 7 | -1 | 92 | 455.49 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 8.8 | -25.73 | 1 | 7 | 0 | 89 | 456.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 9.8 | -18.03 | 0 | 7 | 0 | 86 | 456.498 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 9.08 | -60.04 | 2 | 7 | 1 | 90 | 457.506 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 10.08 | -61.27 | 1 | 7 | 1 | 87 | 457.506 | 9 | ↓ |
