| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | No |
Popular Name: (5R)-4-(4-fluorobenzoyl)-5-(3-isoamoxyphenyl)-2-keto-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5R)-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 | 12.18 | -49.74 | 0 | 6 | -1 | 83 | 473.524 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 10.27 | -25.43 | 1 | 6 | 0 | 80 | 474.532 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 11.25 | -20.36 | 0 | 6 | 0 | 77 | 474.532 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.84 | 10.56 | -55.06 | 2 | 6 | 1 | 81 | 475.54 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 11.54 | -52.73 | 1 | 6 | 1 | 78 | 475.54 | 9 | ↓ |
