| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 23 | No |
Popular Name: 5-isopropyl-3-[[4-(3-methylsulfonylpropyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole 5-isopropyl-3-[[4-(3-methylsulfo…
| 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) | 0.71 | 2.43 | -53.58 | 1 | 7 | 1 | 81 | 345.489 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 0.35 | -18.61 | 0 | 7 | 0 | 80 | 344.481 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 2.38 | -46.61 | 1 | 7 | 1 | 81 | 345.489 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 4.48 | -129.67 | 2 | 7 | 2 | 82 | 346.497 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
