| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-3-methyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]butan-1-one (2S)-2-amino-3-methyl-1-[4-(3-py…
| 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) | -0.30 | 2.41 | -45.27 | 3 | 5 | 1 | 64 | 277.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 2.06 | -8.94 | 2 | 5 | 0 | 62 | 276.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | 4.59 | -107.54 | 4 | 5 | 2 | 65 | 278.4 | 4 | ↓ |
