| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | Yes |
Popular Name: (2R)-2-(4-methylpiperazin-1-yl)-3-phenyl-propanenitrile (2R)-2-(4-methylpiperazin-1-yl)-…
| 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) | 1.81 | 6.67 | -44.79 | 1 | 3 | 1 | 31 | 230.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.3 | -6.74 | 0 | 3 | 0 | 30 | 229.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
