| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 32 | No |
Popular Name: (5S)-2-keto-5-p-cumenyl-4-p-toluoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-2-keto-5-p-cumenyl-4-p-tolu…
| 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) | 4.50 | 12 | -41.21 | 0 | 5 | -1 | 73 | 425.508 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 0.92 | -22.66 | 0 | 5 | 0 | 67 | 426.516 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 1.12 | -46.72 | 2 | 5 | 1 | 71 | 427.524 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.92 | 1.03 | -56.71 | 1 | 5 | 1 | 68 | 427.524 | 6 | ↓ |
