| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (4R)-4-(dimethylaminomethyl)-8-methoxy-3,4-dihydro-2H-1-benzoxepin-5-one (4R)-4-(dimethylaminomethyl)-8-m…
| 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) | 2.03 | 6.16 | -40.01 | 1 | 4 | 1 | 40 | 250.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.85 | -8.8 | 0 | 4 | 0 | 39 | 249.31 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
