| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-4-methyl-piperazine-2,3-dione 1-[(2R)-2-cyclopropyl-2-(methyla…
| 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) | -0.48 | 4.18 | -45.23 | 2 | 5 | 1 | 57 | 226.3 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 3.34 | -15.55 | 1 | 5 | 0 | 53 | 225.292 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
