In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 15 | Yes |
Popular Name: 2-[3-(4-pyridylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(4-pyridylmethyl)-1,2,4-oxa…
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) | -0.31 | 0.6 | -54.85 | 3 | 5 | 1 | 79 | 205.241 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.31 | 1.06 | -97.32 | 4 | 5 | 2 | 81 | 206.249 | 4 | ↓ |