| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 21 | Yes |
Popular Name: 3-isopropyl-5-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 3-isopropyl-5-[[4-(3-thienylmeth…
| 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) | 1.76 | 5.18 | -41.59 | 1 | 5 | 1 | 47 | 307.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.21 | -41.71 | 1 | 5 | 1 | 47 | 307.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 2.93 | -6.89 | 0 | 5 | 0 | 45 | 306.435 | 5 | ↓ |
