| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 19 | 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) | 2.75 | 6.6 | -13.55 | 1 | 4 | 0 | 54 | 246.273 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 6.16 | -52.71 | 0 | 4 | -1 | 53 | 245.265 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | -2.22 | -36.36 | 2 | 4 | 1 | 56 | 247.281 | 1 | ↓ |
