In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 20 | Yes |
Popular Name: (1R,2S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1R,2S)-1-[3-(benzofuran-2-yl)-1…
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) | 1.61 | 4.11 | -51 | 3 | 5 | 1 | 80 | 272.328 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 3.79 | -9.38 | 2 | 5 | 0 | 78 | 271.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.