| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 16 | Yes |
Popular Name: (2S)-2-amino-1-(4-prop-2-ynylpiperazin-1-yl)pentan-1-one (2S)-2-amino-1-(4-prop-2-ynylpip…
| 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) | 0.02 | 1.96 | -45.15 | 3 | 4 | 1 | 51 | 224.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 1.65 | -7.38 | 2 | 4 | 0 | 50 | 223.32 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.02 | 4.22 | -101.03 | 4 | 4 | 2 | 52 | 225.336 | 4 | ↓ |
