| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 32 | 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) | 3.06 | 5.35 | -33.95 | 5 | 12 | 1 | 162 | 505.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 3.85 | -46.21 | 3 | 12 | -1 | 163 | 503.341 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 3.08 | -8.88 | 4 | 12 | 0 | 161 | 504.349 | 6 | ↓ |
