| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | No |
Popular Name: 3-isopropyl-5-[(1S)-1-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1S)-1-[4-(3-meth…
| 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) | 1.00 | 1.88 | -53.93 | 1 | 7 | 1 | 81 | 345.489 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 1.83 | -47.44 | 1 | 7 | 1 | 81 | 345.489 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | -0.4 | -16.88 | 0 | 7 | 0 | 80 | 344.481 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
