| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: [(2R)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-2-piperidyl]methanamine [(2R)-1-[(4S)-4,5,6,7-tetrahydro…
| 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) | 2.03 | 5.32 | -45.18 | 3 | 2 | 1 | 31 | 251.419 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 6.94 | -122.62 | 4 | 2 | 2 | 32 | 252.427 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 6.49 | -27.18 | 3 | 2 | 1 | 30 | 251.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
