| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 35 | Yes |
| 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) | 2.51 | 9.83 | -27.27 | 2 | 9 | 0 | 115 | 491.573 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 9.9 | -61.12 | 1 | 9 | -1 | 117 | 490.565 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 9.62 | -36.7 | 3 | 9 | 1 | 116 | 492.581 | 6 | ↓ |
