| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(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) | 3.38 | 10.6 | -57.64 | 0 | 6 | -1 | 83 | 443.454 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.76 | -28.58 | 1 | 6 | 0 | 80 | 444.462 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 9.78 | -22.67 | 0 | 6 | 0 | 77 | 444.462 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 9.04 | -52.44 | 2 | 6 | 1 | 81 | 445.47 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 10.06 | -52.01 | 1 | 6 | 1 | 78 | 445.47 | 8 | ↓ |
