| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 15 | Yes |
Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [(2S,5R)-5-methylpiperazin-2-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) | 0.14 | 1.3 | -41.35 | 3 | 4 | 1 | 49 | 212.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | 0.03 | -7.49 | 2 | 4 | 0 | 44 | 211.309 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
