| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopentylpiperazin-1-yl)-4-methyl-pentan-1-one (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) | 1.72 | 3.98 | -41.84 | 3 | 4 | 1 | 51 | 270.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 3.73 | -5.28 | 2 | 4 | 0 | 50 | 269.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.22 | -100.76 | 4 | 4 | 2 | 52 | 271.449 | 6 | ↓ |
