In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 19 | Yes |
Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(1H-triazol-4-yl)methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…
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) | -0.46 | 1.06 | -10.9 | 1 | 8 | 0 | 101 | 262.273 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.46 | 1.04 | -37.1 | 0 | 8 | -1 | 99 | 261.265 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.