In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 19 | Yes |
Popular Name: 4-[(2R)-3-[ethyl(2-hydroxyethyl)amino]-2-hydroxy-propoxy]benzonitrile 4-[(2R)-3-[ethyl(2-hydroxyethyl)…
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) | 0.88 | 2.35 | -44.41 | 3 | 5 | 1 | 78 | 265.333 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 0.19 | -9.93 | 2 | 5 | 0 | 77 | 264.325 | 8 | ↓ |