| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: 2,4-dichloro-6-[[[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1R)-1-(4-meth…
| 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) | 2.07 | 5.9 | -50.25 | 3 | 5 | 1 | 68 | 302.185 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.46 | -45.65 | 1 | 5 | -1 | 66 | 300.169 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.72 | -14.66 | 2 | 5 | 0 | 63 | 301.177 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 6.66 | -35.11 | 2 | 5 | 0 | 70 | 301.177 | 4 | ↓ |
