In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-yl-ethanamine N-[(3-ethyl-1,2,4-oxadiazol-5-yl…
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) | 0.22 | 2.32 | -51.09 | 2 | 6 | 1 | 73 | 222.272 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 0.96 | -9.98 | 1 | 6 | 0 | 69 | 221.264 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.