| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 18 | No |
Popular Name: N-[2-(4-methyl-1-piperidyl)ethyl]-1,1-dioxo-thian-4-amine N-[2-(4-methyl-1-piperidyl)ethyl…
| 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) | 1.07 | 3.25 | -47.94 | 2 | 4 | 1 | 51 | 275.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 4.44 | -142.71 | 3 | 4 | 2 | 55 | 276.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 2.21 | -58.37 | 2 | 4 | 1 | 54 | 275.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
