| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 20 | 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) | 2.81 | 5.9 | -46.4 | 3 | 3 | 1 | 46 | 335.221 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.42 | -41.8 | 1 | 3 | -1 | 44 | 333.205 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 6.66 | -32.95 | 2 | 3 | 0 | 49 | 334.213 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 4.66 | -7.53 | 2 | 3 | 0 | 41 | 334.213 | 3 | ↓ |
