In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 20 | Yes |
Popular Name: (1S)-2-[4-(dimethylamino)-1-piperidyl]-1-(4-ethylphenyl)ethanol (1S)-2-[4-(dimethylamino)-1-pipe…
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) | 2.49 | 5.88 | -37.36 | 2 | 3 | 1 | 28 | 277.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 6.16 | -34.74 | 2 | 3 | 1 | 28 | 277.432 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | 8.49 | -100.91 | 3 | 3 | 2 | 29 | 278.44 | 5 | ↓ |