| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | Yes |
Popular Name: 2-(dimethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide 2-(dimethylamino)-N-[4-(4-methyl…
| 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) | 1.98 | 9.13 | -45.8 | 2 | 6 | 1 | 53 | 340.451 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 6.77 | -11.67 | 1 | 6 | 0 | 52 | 339.443 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 9.64 | -79.2 | 3 | 6 | 2 | 54 | 341.459 | 4 | ↓ |
