| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 30 | No |
Popular Name: (5S)-4-(2,5-dimethylbenzoyl)-2-keto-5-(4-pyridyl)-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(2,5-dimethylbenzoyl)-2-k…
| 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) | 2.08 | 8.87 | -39.43 | 0 | 6 | -1 | 86 | 398.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | -0.66 | -24.7 | 0 | 6 | 0 | 80 | 399.45 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | -0.97 | -29.77 | 1 | 6 | 0 | 83 | 399.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | -0.44 | -62.83 | 2 | 6 | 1 | 84 | 400.458 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | -0.45 | -41.19 | 2 | 6 | 1 | 84 | 400.458 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | -0.33 | -110.35 | 3 | 6 | 2 | 85 | 401.466 | 4 | ↓ |
