| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2010 | 19 | Yes |
Popular Name: 3-tert-butyl-5-[(4-isopropylpiperazin-1-yl)methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(4-isopropylpipe…
| 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) | 2.11 | 4.4 | -37.1 | 1 | 5 | 1 | 47 | 267.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.21 | -6.17 | 0 | 5 | 0 | 45 | 266.389 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 4.47 | -39.87 | 1 | 5 | 1 | 47 | 267.397 | 4 | ↓ |
