| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 20 | Yes |
Popular Name: 5-chloro-2-[(3S)-3-(4-methylpiperazin-1-yl)butoxy]aniline 5-chloro-2-[(3S)-3-(4-methylpipe…
| 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) | 2.61 | 5.54 | -37.11 | 3 | 4 | 1 | 43 | 298.838 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 3.07 | -4.11 | 2 | 4 | 0 | 42 | 297.83 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 5.09 | -39.01 | 3 | 4 | 1 | 43 | 298.838 | 5 | ↓ |
