| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 19 | Yes |
Popular Name: (S)-(5-chloro-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine (S)-(5-chloro-2-thienyl)-(3,4-di…
| 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) | 3.38 | 5.93 | -53.07 | 3 | 3 | 1 | 46 | 296.799 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 5.6 | -6.39 | 2 | 3 | 0 | 44 | 295.791 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
