| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine N-[(5-chloro-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) | 3.50 | 7.68 | -39.95 | 2 | 3 | 1 | 26 | 323.869 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 5.61 | -4.94 | 1 | 3 | 0 | 24 | 322.861 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 6.96 | -50.07 | 2 | 3 | 1 | 29 | 323.869 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
