In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 25 | Yes |
Popular Name: 3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[3-(3-fluorophenyl)-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) | 2.87 | 4.09 | -33.43 | 1 | 7 | 0 | 97 | 358.354 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 3.68 | -45.26 | 0 | 7 | -1 | 100 | 357.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.