| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 32 | No |
Popular Name: (5S)-4-(4-fluorobenzoyl)-2-keto-5-m-phenetyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(4-fluorobenzoyl)-2-keto-…
| 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) | 3.11 | 10.05 | -57.24 | 0 | 6 | -1 | 83 | 431.443 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 0.05 | -23.42 | 0 | 6 | 0 | 76 | 432.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | -0.2 | -28.06 | 1 | 6 | 0 | 79 | 432.451 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 0.16 | -50.83 | 1 | 6 | 1 | 77 | 433.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | -0.09 | -50.9 | 2 | 6 | 1 | 80 | 433.459 | 6 | ↓ |
