| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: (5S)-7-butyl-N-ethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine (5S)-7-butyl-N-ethyl-1,2,4,5-tet…
| 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) | 3.87 | 8.85 | -32.25 | 2 | 2 | 1 | 26 | 248.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 8.32 | -2.07 | 1 | 2 | 0 | 21 | 247.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
