| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2009 | 32 | Yes |
Popular Name: (2R)-4-benzyl-N-(3-cyanophenyl)-N'-(2-dimethylaminoethyl)piperazine-1,2-dicarboxamide (2R)-4-benzyl-N-(3-cyanophenyl)-…
| 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) | 1.83 | 9.28 | -51.26 | 3 | 8 | 1 | 93 | 435.552 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.75 | -18.94 | 2 | 8 | 0 | 92 | 434.544 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 11.56 | -113.32 | 4 | 8 | 2 | 94 | 436.56 | 7 | ↓ |
