In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 20 | Yes |
Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-butan-1-amine (1R)-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) | 1.64 | 4.12 | -51.44 | 3 | 5 | 1 | 80 | 272.328 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 3.84 | -8.03 | 2 | 5 | 0 | 78 | 271.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.