| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 20 | Yes |
Popular Name: [2-[(3S)-3-(4-methylpiperazin-1-yl)butoxy]phenyl]methanamine [2-[(3S)-3-(4-methylpiperazin-1-…
| 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) | 1.65 | 5.15 | -89.35 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 2.68 | -42.37 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 4.7 | -96.34 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
