In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(2-chlorophenyl)-2-(3-pyridylmethylamino)ethanol (1S)-1-(2-chlorophenyl)-2-(3-pyr…
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) | 1.70 | 3.29 | -8.06 | 2 | 3 | 0 | 45 | 262.74 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.70 | 4.7 | -48.79 | 3 | 3 | 1 | 50 | 263.748 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.70 | 3.73 | -36.59 | 3 | 3 | 1 | 46 | 263.748 | 5 | ↓ |