| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 21 | Yes |
Popular Name: N-[(R)-(5-chloro-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine N-[(R)-(5-chloro-2-thienyl)-(3,4…
| 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) | 4.13 | 8.6 | -43.42 | 2 | 3 | 1 | 35 | 324.853 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 7.46 | -5.33 | 1 | 3 | 0 | 30 | 323.845 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
