| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 32 | No |
Popular Name: (5S)-4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-2-keto-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(4-ethoxybenzoyl)-5-(4-fl…
| 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) | 3.14 | 9.72 | -37.12 | 0 | 6 | -1 | 83 | 431.443 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 0.05 | -25.91 | 0 | 6 | 0 | 76 | 432.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | -0.19 | -30.93 | 1 | 6 | 0 | 79 | 432.451 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | -0.08 | -52.17 | 2 | 6 | 1 | 80 | 433.459 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 0.16 | -52.7 | 1 | 6 | 1 | 77 | 433.459 | 7 | ↓ |
