| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 25 | Yes |
Popular Name: [2-(dimethylamino)-3-pyridyl]-[(3S)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]methanone [2-(dimethylamino)-3-pyridyl]-[(…
| 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) | 1.65 | 7.9 | -13.72 | 0 | 5 | 0 | 40 | 342.418 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 9.84 | -51.05 | 1 | 5 | 1 | 41 | 343.426 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 10.31 | -97.02 | 2 | 5 | 2 | 42 | 344.434 | 3 | ↓ |
