In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 22 | No |
Popular Name: 3-ethyl-5-[(1S)-1-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-ethyl-5-[(1S)-1-[4-(3-methylsu…
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) | 0.52 | 1.43 | -54.13 | 1 | 7 | 1 | 81 | 331.462 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 1.38 | -47.52 | 1 | 7 | 1 | 81 | 331.462 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.52 | -0.85 | -16.97 | 0 | 7 | 0 | 80 | 330.454 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.