| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: (1R)-1-(2,3-difluorophenyl)-1-(1-isoquinolyl)-N-methyl-methanamine (1R)-1-(2,3-difluorophenyl)-1-(1…
| 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) | 3.86 | 8.43 | -42.15 | 2 | 2 | 1 | 29 | 285.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 7.37 | -7.02 | 1 | 2 | 0 | 25 | 284.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
