| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 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) | 4.49 | 10.88 | -24.27 | 2 | 8 | 0 | 109 | 515.62 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.95 | 9.3 | -50.18 | 1 | 8 | -1 | 112 | 514.612 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.95 | 9.02 | -61.2 | 1 | 8 | -1 | 112 | 514.612 | 5 | ↓ |
