| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: 2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1R)-1-aminoethyl]-4-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) | -0.52 | 4.33 | -45.12 | 3 | 5 | 1 | 60 | 292.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | 4 | -11.59 | 2 | 5 | 0 | 59 | 291.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.52 | 6.68 | -92.78 | 4 | 5 | 2 | 62 | 293.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
