| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 1-methylsulfonyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-methylsulfonyl-N-[(4S)-4,5,6,7…
| 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) | 0.98 | 4.19 | -49.23 | 2 | 4 | 1 | 54 | 315.484 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.73 | -11.17 | 1 | 4 | 0 | 49 | 314.476 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
