| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | No |
Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-3-…
| 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) | 1.06 | 5.13 | -66.13 | 0 | 9 | -1 | 104 | 452.487 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 6.11 | -66.27 | 2 | 9 | 1 | 103 | 454.503 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 7.31 | -72.28 | 1 | 9 | 1 | 99 | 454.503 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 7.47 | -83.22 | 1 | 9 | 0 | 105 | 453.495 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 6.92 | -114.7 | 3 | 9 | 2 | 104 | 455.511 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 7.59 | -129.99 | 2 | 9 | 2 | 101 | 455.511 | 8 | ↓ |
