| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (5R)-8-bromo-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-8-bromo-N-[(1S)-1-(5-chloro…
| 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) | 4.63 | 10.08 | -37.7 | 2 | 2 | 1 | 26 | 387.75 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 9.3 | -3.61 | 1 | 2 | 0 | 21 | 386.742 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
