| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (3R)-3-amino-4-oxo-4-[4-(4-pyridylmethyl)piperazin-1-yl]butanamide (3R)-3-amino-4-oxo-4-[4-(4-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) | -1.25 | -2.02 | -43.48 | 5 | 7 | 1 | 107 | 292.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.25 | -2.37 | -14.14 | 4 | 7 | 0 | 106 | 291.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.25 | 0.23 | -110.53 | 6 | 7 | 2 | 108 | 293.371 | 5 | ↓ |
