| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (3R)-3-[[(2R,4S)-2-methyltetrahydropyran-4-yl]amino]azepan-2-one (3R)-3-[[(2R,4S)-2-methyltetrahy…
| 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) | 0.84 | 2.23 | -40.87 | 3 | 4 | 1 | 55 | 227.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 2.01 | -6.63 | 2 | 4 | 0 | 50 | 226.32 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
