| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (4S)-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[(3S,5S)-3,5-dimethyl-1-p…
| 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) | 2.92 | 7.07 | -30.02 | 2 | 2 | 1 | 16 | 245.39 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 8.41 | -113.32 | 3 | 2 | 2 | 21 | 246.398 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
