| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 20 | Yes |
Popular Name: [(3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-(2-thienyl)methanone [(3S,5S)-4-(2-dimethylaminoethyl…
| 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) | 1.86 | 6.22 | -43.68 | 1 | 4 | 1 | 28 | 296.46 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.77 | -7.17 | 0 | 4 | 0 | 27 | 295.452 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 8.23 | -119.64 | 2 | 4 | 2 | 29 | 297.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
