In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2011 | 20 | Yes |
Popular Name: N-ethyl-N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidyl]methyl]ethanamine N-ethyl-N-[[1-[(3-ethyl-1,2,4-ox…
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) | 1.95 | 7.74 | -100.61 | 2 | 5 | 2 | 48 | 282.432 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 5.9 | -40.68 | 1 | 5 | 1 | 47 | 281.424 | 7 | ↓ |