In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 29 | Yes |
Popular Name: 3-[[4-(o-tolyl)piperazin-1-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 3-[[4-(o-tolyl)piperazin-1-yl]me…
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) | 3.27 | 8.83 | -9.59 | 1 | 5 | 0 | 45 | 393.531 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 11.07 | -43.56 | 2 | 5 | 1 | 46 | 394.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 8.87 | -33.7 | 2 | 5 | 1 | 46 | 394.539 | 6 | ↓ |