| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | No |
Popular Name: (E)-4-[methyl-[(1S)-1-(4-pyridyl)ethyl]amino]-4-oxo-but-2-enoic (E)-4-[methyl-[(1S)-1-(4-pyridyl…
| 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) | 0.10 | 6.12 | -47.58 | 0 | 5 | -1 | 73 | 233.247 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 6.58 | -67.42 | 1 | 5 | 0 | 75 | 234.255 | 4 | ↓ |
