| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine N-[(4-bromo-2-thienyl)methyl]-2-…
| 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) | 4.07 | 9.45 | -38.36 | 2 | 2 | 1 | 16 | 366.348 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.07 | 10.79 | -129.32 | 3 | 2 | 2 | 21 | 367.356 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.07 | 8.72 | -47.18 | 2 | 2 | 1 | 20 | 366.348 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
