| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 25 | No |
Popular Name: (5S)-4-acetyl-3-hydroxy-5-(2-methoxyphenyl)-1-(3-pyridylmethyl)-3-pyrrolin-2-one (5S)-4-acetyl-3-hydroxy-5-(2-met…
| 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) | 0.95 | -0.05 | -11.77 | 1 | 6 | 0 | 79 | 338.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | -0.43 | -18.63 | 1 | 6 | 0 | 79 | 338.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | -0.22 | -19.26 | 0 | 6 | 0 | 76 | 338.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 0.04 | -45.57 | 2 | 6 | 1 | 80 | 339.371 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | -0.31 | -47.04 | 2 | 6 | 1 | 80 | 339.371 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | -0.11 | -52.55 | 1 | 6 | 1 | 77 | 339.371 | 5 | ↓ |
