| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (3S)-3-amino-4-oxo-4-[4-(2-pyridylmethyl)piperazin-1-yl]butanamide (3S)-3-amino-4-oxo-4-[4-(2-pyrid…
| 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) | -1.13 | -1.69 | -41.77 | 5 | 7 | 1 | 107 | 292.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.13 | -2.04 | -13.9 | 4 | 7 | 0 | 106 | 291.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.13 | -1.68 | -82.96 | 6 | 7 | 2 | 108 | 293.371 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.13 | 0.55 | -101.44 | 6 | 7 | 2 | 108 | 293.371 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 0.55 | -186.44 | 7 | 7 | 3 | 110 | 294.379 | 5 | ↓ |
