| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 31 | No |
None
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) | 3.68 | 8.7 | -41.34 | 2 | 6 | 1 | 61 | 422.549 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.19 | -45.87 | 0 | 6 | -1 | 63 | 420.533 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.43 | -8.78 | 1 | 6 | 0 | 60 | 421.541 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 9.46 | -52.31 | 1 | 6 | 0 | 64 | 421.541 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 9.52 | -113.27 | 3 | 6 | 0 | 63 | 423.557 | 5 | ↓ |
