| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 31 | No |
Popular Name: (5S)-5-(4-chlorophenyl)-2-keto-4-p-anisoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(4-chlorophenyl)-2-keto-4…
| 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) | 3.27 | 9.25 | -37.08 | 0 | 6 | -1 | 83 | 433.871 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | -1.22 | -27.53 | 1 | 6 | 0 | 79 | 434.879 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | -0.97 | -25.32 | 0 | 6 | 0 | 76 | 434.879 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | -1.1 | -54.2 | 2 | 6 | 1 | 80 | 435.887 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | -0.85 | -55.3 | 1 | 6 | 1 | 77 | 435.887 | 6 | ↓ |
