In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…
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) | 1.42 | 3.63 | -51.55 | 3 | 5 | 1 | 80 | 258.301 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 3.3 | -9.26 | 2 | 5 | 0 | 78 | 257.293 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.