| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: 3-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,5-oxadiazole 3-methyl-4-[[(2S)-2-methylpipera…
| 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 | 0.83 | -46.97 | 2 | 5 | 1 | 59 | 197.262 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | -0.51 | -8.34 | 1 | 5 | 0 | 54 | 196.254 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
