| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 20 | Yes |
Popular Name: (2S)-2-isopropyl-2-methyl-4-oxo-4-[[(1R)-1-(4-pyridyl)ethyl]amino]butanoic (2S)-2-isopropyl-2-methyl-4-oxo-…
| 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) | 1.34 | 6.61 | -56.54 | 1 | 5 | -1 | 82 | 277.344 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 4.72 | -40.42 | 3 | 5 | 1 | 81 | 279.36 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 4.67 | -14.39 | 2 | 5 | 0 | 79 | 278.352 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 7.07 | -75.01 | 2 | 5 | 0 | 83 | 278.352 | 6 | ↓ |
