| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 19 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopropylpiperazin-1-yl)-2-phenyl-ethanone (2S)-2-amino-1-(4-isopropylpiper…
| 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) | -0.66 | 3.2 | -44.84 | 3 | 4 | 1 | 51 | 262.377 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | 2.88 | -9.24 | 2 | 4 | 0 | 50 | 261.369 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 5.42 | -101.52 | 4 | 4 | 2 | 52 | 263.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 5.24 | -41.91 | 3 | 4 | 1 | 51 | 262.377 | 3 | ↓ |
