In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 21 | Yes |
Popular Name: 5-[(3S)-3-propyl-3-piperidyl]-3-(2-pyridylmethyl)-1,2,4-oxadiazole 5-[(3S)-3-propyl-3-piperidyl]-3-…
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) | 2.14 | 5.84 | -43.13 | 2 | 5 | 1 | 68 | 287.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.24 | -81.84 | 3 | 5 | 2 | 70 | 288.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.