| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 18 | Yes |
Popular Name: (2S)-N-[[3-(4-pyridylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(4-pyridylmethyl)-1,2…
| 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) | 1.48 | 3.9 | -45.24 | 2 | 5 | 1 | 68 | 247.322 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 2.7 | -7.37 | 1 | 5 | 0 | 64 | 246.314 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 4.37 | -87.97 | 3 | 5 | 2 | 70 | 248.33 | 6 | ↓ |
