| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 18 | Yes |
Popular Name: (2S)-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]azepane (2S)-2-[(4-methoxy-3,5-dimethyl-…
| 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) | 3.33 | 6.61 | -35.32 | 2 | 3 | 1 | 39 | 249.378 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 6.73 | -103.5 | 3 | 3 | 2 | 40 | 250.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
