| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 31 | Yes |
Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl-methyl-BLAHdione 2-[4-(4-fluorophenyl)piperazin-1…
| 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) | 2.25 | 8.32 | -43.33 | 2 | 7 | 1 | 66 | 444.556 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.1 | -10.92 | 1 | 7 | 0 | 65 | 443.548 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 10.74 | -95.11 | 3 | 7 | 2 | 67 | 445.564 | 4 | ↓ |
