| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2008 | 22 | No |
| 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) | 4.57 | 5.37 | -8.34 | 2 | 3 | 0 | 53 | 289.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 6.15 | -53.97 | 1 | 3 | -1 | 56 | 288.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 6.03 | -47.34 | 1 | 3 | -1 | 56 | 288.326 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.57 | 5.32 | -25.58 | 3 | 3 | 1 | 54 | 290.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.57 | 5.65 | -25.52 | 3 | 3 | 1 | 54 | 290.342 | 3 | ↓ |
