In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-2-(4-pyridylmethylamino)ethanol (1S)-1-(3,4-dimethoxyphenyl)-2-(…
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) | 0.67 | 2.03 | -11.08 | 2 | 5 | 0 | 64 | 288.347 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 3.45 | -60.59 | 3 | 5 | 1 | 68 | 289.355 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 2.47 | -43.16 | 3 | 5 | 1 | 65 | 289.355 | 7 | ↓ |