In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 21 | Yes |
Popular Name: 3-[(2S)-2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propoxy]benzonitrile 3-[(2S)-2-hydroxy-3-[2-(2-methox…
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) | 0.30 | 2.38 | -50.1 | 3 | 6 | 1 | 88 | 295.359 | 11 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 1.04 | -11.28 | 2 | 6 | 0 | 84 | 294.351 | 11 | ↓ |