| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: 2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1S)-1-hydroxyethyl]-4-met…
| 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) | 1.18 | 3.86 | -12.79 | 1 | 5 | 0 | 53 | 292.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 6.12 | -51.39 | 2 | 5 | 1 | 54 | 293.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
