| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 33 | No |
Popular Name: (5S)-5-(2,3-dimethoxyphenyl)-2-keto-4-p-toluoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(2,3-dimethoxyphenyl)-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) | 2.81 | 10.04 | -55.66 | 0 | 7 | -1 | 92 | 443.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 0.22 | -16.05 | 0 | 7 | 0 | 85 | 444.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 0.44 | -46.43 | 2 | 7 | 1 | 90 | 445.495 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 0.33 | -55.33 | 1 | 7 | 1 | 87 | 445.495 | 7 | ↓ |
