| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 19 | Yes |
Popular Name: (1R)-1-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (1R)-1-(3,4-dimethylphenyl)-2-(4…
| 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) | 0.55 | 6.58 | -102.15 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 4.2 | -43.38 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.38 | -2.72 | 2 | 3 | 0 | 32 | 261.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 5.79 | -32.24 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 6.17 | -133.73 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
