| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(2,4-dimethylphenyl)-2-(4-isopropylpiperazin-1-yl)ethanamine (1S)-1-(2,4-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) | 0.85 | 6.9 | -100.6 | 4 | 3 | 2 | 35 | 277.456 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.68 | -41.5 | 3 | 3 | 1 | 34 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.33 | -2.18 | 2 | 3 | 0 | 32 | 275.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 6.23 | -33.01 | 3 | 3 | 1 | 34 | 276.448 | 4 | ↓ |
