| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 20 | Yes |
Popular Name: (S)-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-chloro-2-thienyl)methanamine (S)-(7-bromo-3,4-dihydro-2H-1,5-…
| 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) | 4.12 | 6.36 | -48.27 | 3 | 3 | 1 | 46 | 375.695 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 6.03 | -5.45 | 2 | 3 | 0 | 44 | 374.687 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
