| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 31 | No |
Popular Name: (5S)-5-(4-fluorophenyl)-2-keto-4-p-anisoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(4-fluorophenyl)-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) | 2.76 | 9.08 | -59.93 | 0 | 6 | -1 | 83 | 417.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | -0.21 | -31.25 | 1 | 6 | 0 | 79 | 418.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 0.03 | -26.08 | 0 | 6 | 0 | 76 | 418.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | -0.1 | -52.3 | 2 | 6 | 1 | 80 | 419.432 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 0.15 | -52.75 | 1 | 6 | 1 | 77 | 419.432 | 6 | ↓ |
