In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 18 | Yes |
Popular Name: 4-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile 4-[[(2R,3R,4S)-3,4-dihydroxy-2-(…
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) | -0.58 | -0.29 | -44.14 | 4 | 5 | 1 | 89 | 249.29 | 3 | ↓ |