| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: 3-[[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]-N-methyl-propanamide 3-[[(1R)-2-(azepan-1-yl)-1-methy…
| 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) | 0.57 | 3.56 | -42.85 | 3 | 5 | 1 | 66 | 256.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 2.42 | -11.86 | 2 | 5 | 0 | 61 | 255.362 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
