In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 29 | Yes |
Popular Name: 2-fluoro-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]benzamide 2-fluoro-N-[4-[[4-(2-pyridyl)pip…
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) | 3.44 | 9.98 | -39.62 | 2 | 5 | 1 | 50 | 391.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 9.65 | -16.53 | 1 | 5 | 0 | 48 | 390.462 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 12.2 | -103.29 | 3 | 5 | 2 | 51 | 392.478 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 11.88 | -48.83 | 2 | 5 | 1 | 50 | 391.47 | 5 | ↓ |