| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 33 | No |
Popular Name: (5S)-4-(4-ethoxy-2-methyl-benzoyl)-2-keto-5-(p-tolyl)-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(4-ethoxy-2-methyl-benzoy…
| 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) | 3.80 | 11.79 | -41.67 | 0 | 6 | -1 | 83 | 441.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 0.57 | -18.6 | 0 | 6 | 0 | 76 | 442.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 0.83 | -47.68 | 2 | 6 | 1 | 80 | 443.523 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 0.69 | -59.16 | 1 | 6 | 1 | 77 | 443.523 | 7 | ↓ |
