| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 15 | No |
Popular Name: (3S)-3-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one (3S)-3-methyl-1-[(1S)-1-(3-thien…
| 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) | 1.94 | 7.61 | -41.99 | 1 | 2 | 1 | 22 | 224.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.53 | -4.64 | 0 | 2 | 0 | 20 | 223.341 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
