| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2011 | 31 | 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) | 6.82 | 12.29 | -9.88 | 1 | 4 | 0 | 54 | 428.557 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.28 | 10.08 | -50.01 | 0 | 4 | -1 | 58 | 427.549 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.28 | 10.42 | -49.55 | 0 | 4 | -1 | 58 | 427.549 | 6 | ↓ |
