| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | 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) | 3.20 | 5.96 | -32.32 | 2 | 4 | 1 | 38 | 301.495 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 4.74 | -2.17 | 1 | 4 | 0 | 34 | 300.487 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 7.38 | -25.86 | 2 | 4 | 1 | 35 | 301.495 | 9 | ↓ |
