| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 22 | Yes |
Popular Name: 3-[(2S,6R)-2,6-dimethyl-4-(2-thienylsulfonyl)piperazin-1-yl]-N,N-dimethyl-propan-1-amine 3-[(2S,6R)-2,6-dimethyl-4-(2-thi…
| 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) | 2.05 | 4.51 | -45.46 | 1 | 5 | 1 | 45 | 346.542 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 6.65 | -104.78 | 2 | 5 | 2 | 46 | 347.55 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 4.18 | -41.72 | 1 | 5 | 1 | 45 | 346.542 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
