In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2010 | 19 | Yes |
Popular Name: 4-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxypropyl]-methyl-amino]propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-[[(2S)-2-hyd…
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) | 0.86 | 2.77 | -46.17 | 3 | 5 | 1 | 78 | 265.333 | 7 | ↓ |