In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 19 | Yes |
Popular Name: N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-[(5-ethyl-1,2,4-oxadiazol-…
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) | 0.94 | 3.99 | -45.61 | 2 | 6 | 1 | 73 | 264.353 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 2.61 | -10.75 | 1 | 6 | 0 | 69 | 263.345 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.