In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 21 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-2-[4-(dimethylamino)-1-piperidyl]ethanol (1S)-1-(benzofuran-2-yl)-2-[4-(d…
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) | 2.14 | 5.11 | -40.42 | 2 | 4 | 1 | 41 | 289.399 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 5.5 | -37.58 | 2 | 4 | 1 | 41 | 289.399 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 7.75 | -104.15 | 3 | 4 | 2 | 42 | 290.407 | 4 | ↓ |