In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 20 | Yes |
Popular Name: 3-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoic 3-[4-[(5-propyl-1,2,4-oxadiazol-…
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) | 0.31 | 4.19 | -48.76 | 1 | 7 | 0 | 87 | 282.344 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 1.92 | -47.57 | 0 | 7 | -1 | 86 | 281.336 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.