| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 33 | No |
Popular Name: (5S)-2-keto-4-p-anisoyl-5-p-cumenyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-2-keto-4-p-anisoyl-5-p-cume…
| 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) | 4.11 | 10.67 | -40.02 | 0 | 6 | -1 | 83 | 441.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 0.34 | -30.72 | 1 | 6 | 0 | 79 | 442.515 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 0.63 | -23.58 | 0 | 6 | 0 | 76 | 442.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 0.46 | -55.1 | 2 | 6 | 1 | 80 | 443.523 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 0.74 | -58.91 | 1 | 6 | 1 | 77 | 443.523 | 7 | ↓ |
