| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 22 | Yes |
Popular Name: (3S,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-N-phenyl-piperazine-1-carboxamide (3S,5R)-4-(2-dimethylaminoethyl)…
| 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) | 2.27 | 6.55 | -43.2 | 2 | 5 | 1 | 40 | 305.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 4.08 | -8.48 | 1 | 5 | 0 | 39 | 304.438 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 8.6 | -116.39 | 3 | 5 | 2 | 41 | 306.454 | 4 | ↓ |
