In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 27 | Yes |
Popular Name: 3-[5-[1-[2-(4-chlorophenoxy)ethyl]-4-piperidyl]-1,2,4-oxadiazol-3-yl]pyridine 3-[5-[1-[2-(4-chlorophenoxy)ethy…
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) | 3.74 | 9 | -51.82 | 1 | 6 | 1 | 65 | 385.875 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 6.64 | -9.3 | 0 | 6 | 0 | 64 | 384.867 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 9.45 | -94.09 | 2 | 6 | 2 | 67 | 386.883 | 6 | ↓ |