| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 32 | 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) | 3.62 | 6.98 | -40.11 | 2 | 7 | 1 | 77 | 439.532 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.47 | -47.38 | 0 | 7 | -1 | 78 | 437.516 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 4.72 | -10.29 | 1 | 7 | 0 | 75 | 438.524 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.74 | -52.12 | 1 | 7 | 0 | 79 | 438.524 | 6 | ↓ |
