| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopentylpiperazin-1-yl)-3-methyl-butan-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) | 1.19 | 3.27 | -42.18 | 3 | 4 | 1 | 51 | 256.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 2.96 | -5.54 | 2 | 4 | 0 | 50 | 255.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 5.53 | -99.12 | 4 | 4 | 2 | 52 | 257.422 | 5 | ↓ |
