| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | No |
Popular Name: (E)-4-oxo-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]but-2-enoic (E)-4-oxo-4-[(2R)-2-(3-pyridyl)p…
| 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) | 0.18 | 6.5 | -51.05 | 0 | 5 | -1 | 73 | 245.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.18 | 6.95 | -59.54 | 1 | 5 | 0 | 75 | 246.266 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
