| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: (4S)-4-[(3R)-3-ethoxy-1-piperidyl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[(3R)-3-ethoxy-1-piperidy…
| 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 | 5.83 | -33.4 | 2 | 3 | 1 | 26 | 261.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 4.07 | -3.44 | 1 | 3 | 0 | 24 | 260.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.41 | -43.2 | 2 | 3 | 1 | 29 | 261.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
