In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-2-methyl-1-[3-(4-pyridylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R,2R)-2-methyl-1-[3-(4-pyridyl…
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) | -0.18 | 2.43 | -50.57 | 3 | 5 | 1 | 79 | 247.322 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.18 | 2.17 | -6.74 | 2 | 5 | 0 | 78 | 246.314 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | 2.89 | -95.52 | 4 | 5 | 2 | 81 | 248.33 | 5 | ↓ |