| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: N-methyl-1-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperidine-4-carboxamide N-methyl-1-[(4S)-1,2,3,4-tetrahy…
| 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) | 1.18 | 4.05 | -40.96 | 3 | 4 | 1 | 46 | 274.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.3 | -8.79 | 2 | 4 | 0 | 44 | 273.38 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 3.64 | -53.59 | 3 | 4 | 1 | 49 | 274.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
