| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 13 | Yes |
Popular Name: 2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1,3,4-thiadiazole 2-[(3R,5R)-3,5-dimethylpiperazin…
| 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) | 1.06 | 3.63 | -46.56 | 2 | 4 | 1 | 46 | 199.303 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 2.44 | -7.13 | 1 | 4 | 0 | 41 | 198.295 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
