| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 16 | Yes |
| 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) | 1.37 | 3.38 | -39.02 | 2 | 3 | 1 | 29 | 221.324 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 4.5 | -33.92 | 2 | 3 | 1 | 26 | 221.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.58 | -115.98 | 3 | 3 | 2 | 30 | 222.332 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
