| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-2-isopropyl-2-methyl-4-[methyl-[(1R)-1-(4-pyridyl)ethyl]amino]-4-oxo-butanoic (2S)-2-isopropyl-2-methyl-4-[met…
| 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) | 1.59 | 8.1 | -59.94 | 0 | 5 | -1 | 73 | 291.371 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 8.69 | -67.57 | 1 | 5 | 0 | 75 | 292.379 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 6.79 | -40.15 | 2 | 5 | 1 | 72 | 293.387 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 5.76 | -8.77 | 1 | 5 | 0 | 71 | 292.379 | 6 | ↓ |
