| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 30 | No |
None
| 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) | 2.05 | 3.14 | -21.16 | 3 | 8 | 0 | 116 | 438.477 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 2.41 | -58.49 | 2 | 8 | -1 | 122 | 437.469 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 4.36 | -70.97 | 2 | 8 | -1 | 119 | 437.469 | 6 | ↓ |
