| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 36 | No |
| 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) | 3.09 | 8.05 | -50.8 | 1 | 9 | -1 | 125 | 502.528 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 8.84 | -109.39 | 0 | 9 | -2 | 128 | 501.52 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 6.75 | -21.62 | 2 | 9 | 0 | 122 | 503.536 | 7 | ↓ |
