| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 14 | 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) | -0.28 | 0.16 | -34.29 | 3 | 4 | 1 | 46 | 203.306 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | -2.12 | -4.98 | 2 | 4 | 0 | 45 | 202.298 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | -0.76 | -39.67 | 3 | 4 | 1 | 49 | 203.306 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
