| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 18 | Yes |
Popular Name: (1S,2R)-2-(4-ethylpiperazin-1-yl)-1-phenyl-propan-1-amine (1S,2R)-2-(4-ethylpiperazin-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) | 0.05 | 5.55 | -101.28 | 4 | 3 | 2 | 35 | 249.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 3.17 | -43.46 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 2.95 | -1.86 | 2 | 3 | 0 | 32 | 247.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 4.95 | -33.27 | 3 | 3 | 1 | 34 | 248.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 5.17 | -128.69 | 4 | 3 | 2 | 35 | 249.402 | 4 | ↓ |
