In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 20 | Yes |
Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-5-[…
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) | 2.66 | 3.41 | -46.69 | 2 | 5 | 1 | 65 | 298.725 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 2.03 | -5.69 | 1 | 5 | 0 | 60 | 297.717 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.