| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 22 | Yes |
Popular Name: 3-tert-butyl-5-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[4-(3-thienylmet…
| 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) | 2.42 | 5.53 | -41.35 | 1 | 5 | 1 | 47 | 321.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 5.53 | -41.6 | 1 | 5 | 1 | 47 | 321.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 3.27 | -6.85 | 0 | 5 | 0 | 45 | 320.462 | 5 | ↓ |
