| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: N,N-dimethyl-1-[1-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]-4-piperidyl]methanamine N,N-dimethyl-1-[1-[(4S)-1,2,3,4-…
| 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) | 2.10 | 7.84 | -95.06 | 3 | 3 | 2 | 21 | 275.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 5.62 | -32.67 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.02 | -36.5 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 9.19 | -191.52 | 4 | 3 | 3 | 25 | 276.448 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
