| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 10 | 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) | 1.34 | 3.2 | -100.12 | 4 | 2 | 2 | 33 | 146.278 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.95 | -37.1 | 3 | 2 | 1 | 29 | 145.27 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.68 | -34.68 | 3 | 2 | 1 | 29 | 145.27 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
