| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-3-methyl-1-[4-(2-pyridylmethyl)piperazin-1-yl]butan-1-one (2S)-2-amino-3-methyl-1-[4-(2-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) | -0.23 | 2.39 | -45.29 | 3 | 5 | 1 | 64 | 277.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 2.16 | -8.37 | 2 | 5 | 0 | 62 | 276.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 3.16 | -85.02 | 4 | 5 | 2 | 65 | 278.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 4.67 | -102.6 | 4 | 5 | 2 | 65 | 278.4 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 5.36 | -185.95 | 5 | 5 | 3 | 67 | 279.408 | 4 | ↓ |
