In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | Yes |
Popular Name: [1-[[3-(4-pyridylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine [1-[[3-(4-pyridylmethyl)-1,2,4-o…
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) | 1.68 | 4.24 | -48.62 | 3 | 5 | 1 | 79 | 287.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 4.7 | -95.63 | 4 | 5 | 2 | 81 | 288.395 | 5 | ↓ |