In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 30 | No |
Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide N-[(2S)-2-dimethylamino-2-(2-met…
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) | 3.85 | 12.3 | -52.39 | 2 | 5 | 1 | 52 | 447.646 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 10.24 | -15.2 | 1 | 5 | 0 | 51 | 446.638 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.