In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 16 | Yes |
Popular Name: (2R)-3-[[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-amino]-2-methyl-propanenitrile (2R)-3-[[(2R)-2-hydroxy-2-phenyl…
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) | 1.69 | 3.89 | -6.83 | 1 | 3 | 0 | 47 | 218.3 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 6 | -49.21 | 2 | 3 | 1 | 48 | 219.308 | 5 | ↓ |