| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 34 | 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) | 3.74 | 9.26 | -55.31 | 3 | 9 | 1 | 112 | 480.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 9.28 | -51.3 | 3 | 9 | 1 | 112 | 480.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 7.03 | -16.15 | 2 | 9 | 0 | 110 | 479.459 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.74 | 11.53 | -139.93 | 4 | 9 | 2 | 113 | 481.475 | 8 | ↓ |
