| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine (2S)-2-(4-bromo-2-thienyl)-2-(3,…
| 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) | 2.63 | 4.82 | -51.9 | 3 | 3 | 1 | 40 | 354.293 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.39 | -4.11 | 2 | 3 | 0 | 38 | 353.285 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
