| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 15 | Yes |
Popular Name: (3S)-3-[(3-amino-4-pyridyl)-methyl-amino]tetrahydrofuran-2-one (3S)-3-[(3-amino-4-pyridyl)-meth…
| 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) | -0.79 | 3.45 | -36.33 | 3 | 5 | 1 | 70 | 208.241 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.79 | 2.99 | -8.65 | 2 | 5 | 0 | 68 | 207.233 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
