| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 26 | Yes |
Popular Name: (3R)-N-[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]-1-oxo-isochroman-3-carboxamide (3R)-N-[5-(2-bromophenyl)-4H-1,2…
| 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) | 3.20 | 11.79 | -21.99 | 2 | 7 | 0 | 97 | 413.231 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 9.21 | -52.05 | 1 | 7 | -1 | 103 | 412.223 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 11.41 | -58.08 | 1 | 7 | -1 | 95 | 412.223 | 3 | ↓ |
