| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 16 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopropylpiperazin-1-yl)-3-methyl-butan-1-one (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) | 0.21 | 1.69 | -42.85 | 3 | 4 | 1 | 51 | 228.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 1.4 | -4.8 | 2 | 4 | 0 | 50 | 227.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 3.91 | -96.19 | 4 | 4 | 2 | 52 | 229.368 | 3 | ↓ |
