| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 34 | No |
Popular Name: 3-hydroxy-4-(2-methyl-4-propoxy-benzoyl)-5-(p-tolyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-(2-methyl-4-propoxy-…
| 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) | 4.30 | 12.02 | -62.94 | 0 | 6 | -1 | 83 | 455.534 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.75 | 0.06 | -30.93 | 1 | 6 | 0 | 79 | 456.542 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 0.45 | -23.02 | 0 | 6 | 0 | 76 | 456.542 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.75 | 0.59 | -40.91 | 2 | 6 | 1 | 80 | 457.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 0.56 | -48.49 | 1 | 6 | 1 | 77 | 457.55 | 8 | ↓ |
