In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: (2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-[(2S)-2-methylmorpholin-4-yl]acetonitrile (2R)-2-(3-chloro-4-hydroxy-5-met…
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) | 2.09 | 2.47 | -8.88 | 1 | 5 | 0 | 66 | 296.754 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 3.38 | -44.42 | 0 | 5 | -1 | 69 | 295.746 | 3 | ↓ |