In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 28 | Yes |
Popular Name: 3-(3-pyridyl)-5-[(2R)-6-(3-pyridylsulfonyl)-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole 3-(3-pyridyl)-5-[(2R)-6-(3-pyrid…
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) | 1.40 | 4.3 | -17.49 | 0 | 8 | 0 | 102 | 397.46 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 4.76 | -46.4 | 1 | 8 | 1 | 103 | 398.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.