| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: (4S)-N-methyl-N-[(3R)-1-methyl-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-4-amine (4S)-N-methyl-N-[(3R)-1-methyl-3…
| 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) | 1.72 | 4.97 | -35.65 | 2 | 3 | 1 | 20 | 260.405 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 2.62 | -2.43 | 1 | 3 | 0 | 19 | 259.397 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.34 | -95.95 | 3 | 3 | 2 | 24 | 261.413 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
