| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 4-(methylamino)-1-[4-(2-pyridylmethyl)piperazin-1-yl]butan-1-one 4-(methylamino)-1-[4-(2-pyridylm…
| 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) | 0.11 | 4.23 | -46.97 | 2 | 5 | 1 | 53 | 277.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 4.24 | -82.81 | 3 | 5 | 2 | 54 | 278.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 6.45 | -95.33 | 3 | 5 | 2 | 54 | 278.4 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 6.45 | -174.53 | 4 | 5 | 3 | 55 | 279.408 | 6 | ↓ |
