| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopentylpiperazin-1-yl)-2-phenyl-ethanone (2S)-2-amino-1-(4-isopentylpiper…
| 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) | 0.32 | 4.55 | -7.75 | 2 | 4 | 0 | 50 | 289.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 4.88 | -43.14 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 6.76 | -45.67 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 7.1 | -103.88 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |
