| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: 3-methoxy-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]propan-1-amine 3-methoxy-N-[2-[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) | 0.72 | 4.86 | -83.48 | 3 | 5 | 2 | 46 | 280.416 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 3.2 | -6.11 | 1 | 5 | 0 | 41 | 278.4 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 4.55 | -45.94 | 2 | 5 | 1 | 45 | 279.408 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 7.08 | -191.53 | 4 | 5 | 3 | 48 | 281.424 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
