| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 29 | Yes |
Popular Name: (1S)-2-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline (1S)-2-methyl-1-[1-(2,4,6-trimet…
| 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) | 4.83 | 11.53 | -49.06 | 1 | 4 | 1 | 42 | 413.607 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 9.17 | -8.71 | 0 | 4 | 0 | 41 | 412.599 | 3 | ↓ |
