| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine (1S,2S)-1-(5-chloro-2-thienyl)-1…
| 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) | 3.10 | 5.44 | -49.74 | 3 | 3 | 1 | 40 | 323.869 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 5.12 | -4.6 | 2 | 3 | 0 | 38 | 322.861 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
