| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | 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) | 3.16 | 8.64 | -46.22 | 2 | 8 | 1 | 104 | 410.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.85 | -41.44 | 0 | 8 | -1 | 106 | 408.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.28 | -10.59 | 1 | 8 | 0 | 103 | 409.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 9.22 | -46.35 | 1 | 8 | 0 | 107 | 409.442 | 4 | ↓ |
