In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(4-methylphenoxy)-1-(2-pyridyl)propan-2-amine (1S,2R)-1-(4-methylphenoxy)-1-(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) | 2.06 | 5.24 | -35.05 | 3 | 3 | 1 | 50 | 243.33 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.06 | 5.01 | -4.59 | 2 | 3 | 0 | 48 | 242.322 | 4 | ↓ |