| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 20 | Yes |
Popular Name: 3-[(1S)-1-[methyl(2-piperazin-1-ylethyl)amino]ethyl]benzonitrile 3-[(1S)-1-[methyl(2-piperazin-1-…
| 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) | 1.36 | 6.59 | -99.74 | 3 | 4 | 2 | 48 | 274.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 4.52 | -40.02 | 2 | 4 | 1 | 47 | 273.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
