| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: 3-[4-[(6-methoxy-2-pyridyl)methyl]piperazin-1-yl]propan-1-amine 3-[4-[(6-methoxy-2-pyridyl)methy…
| 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) | -0.06 | 1.27 | -110.29 | 4 | 5 | 2 | 57 | 266.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -1.38 | -5.89 | 2 | 5 | 0 | 55 | 264.373 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | -1.01 | -46.64 | 3 | 5 | 1 | 56 | 265.381 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 1.26 | -93.55 | 4 | 5 | 2 | 57 | 266.389 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
