In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 23 | Yes |
Popular Name: 4-[2-(benzenesulfonyl)ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-(benzenesulfonyl)ethyl]-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) | 0.67 | 6.34 | -15.5 | 0 | 7 | 0 | 95 | 331.353 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 6.59 | -50.18 | 1 | 7 | 1 | 96 | 332.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.