| 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) | 3.79 | 10.11 | -41.36 | 2 | 6 | 1 | 63 | 432.544 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 10.88 | -54.76 | 1 | 6 | 0 | 66 | 431.536 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 7.75 | -9.5 | 1 | 6 | 0 | 62 | 431.536 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 8.51 | -46.34 | 0 | 6 | -1 | 65 | 430.528 | 4 | ↓ |
