| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 19 | Yes |
Popular Name: (1S)-1-(4-isopropylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-(4-isopropylphenyl)-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) | 0.86 | 6.8 | -101.43 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 4 | -2.29 | 2 | 3 | 0 | 32 | 261.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 5.92 | -36.48 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 4.33 | -43.67 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
