| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 20 | Yes |
Popular Name: 1-[3-(4-pyridylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptanamine 1-[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) | 2.57 | 3.63 | -53.56 | 3 | 5 | 1 | 79 | 273.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 3.78 | -6.39 | 2 | 5 | 0 | 78 | 272.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.57 | 4.08 | -91.76 | 4 | 5 | 2 | 81 | 274.368 | 3 | ↓ |
