| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | No |
Popular Name: (5S)-4-(4-fluorobenzoyl)-5-(3-isoamoxyphenyl)-2-keto-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(4-fluorobenzoyl)-5-(3-is…
| 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) | 4.39 | 12.9 | -49.6 | 0 | 6 | -1 | 83 | 473.524 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 10.23 | -27.8 | 1 | 6 | 0 | 80 | 474.532 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 11.22 | -23.27 | 0 | 6 | 0 | 77 | 474.532 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.84 | 10.51 | -51.04 | 2 | 6 | 1 | 81 | 475.54 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 11.5 | -50.92 | 1 | 6 | 1 | 78 | 475.54 | 9 | ↓ |
