In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 16 | Yes |
Popular Name: [3-[(E)-but-2-enoxy]-5-(hydroxymethyl)-2-methyl-4-pyridyl]methanol [3-[(E)-but-2-enoxy]-5-(hydroxym…
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) | 0.62 | -0.09 | -8.94 | 2 | 4 | 0 | 63 | 223.272 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.62 | 0.33 | -29.2 | 3 | 4 | 1 | 64 | 224.28 | 5 | ↓ |