| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 22nd, 2010 | 14 | Yes |
Popular Name: 3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole 3-methyl-5-[(4-methylpiperazin-1…
| 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) | -0.29 | 1.59 | -40.28 | 1 | 5 | 1 | 47 | 197.262 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 1.51 | -39.91 | 1 | 5 | 1 | 47 | 197.262 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | -0.77 | -6.83 | 0 | 5 | 0 | 45 | 196.254 | 2 | ↓ |
