| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 19 | Yes |
Popular Name: 2-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]-5-(2-thienyl)-1,3,4-oxadiazole 2-[(1S)-1-(4-methylpiperazin-1-y…
| 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) | 1.40 | 1.41 | -40.34 | 1 | 5 | 1 | 47 | 279.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | -0.95 | -8.69 | 0 | 5 | 0 | 45 | 278.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
