| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2008 | 35 | 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) | 2.91 | 11.88 | -80.79 | 1 | 8 | 0 | 96 | 476.529 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 9.35 | -64.11 | 0 | 8 | -1 | 95 | 475.521 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 11.72 | -69.06 | 2 | 8 | 1 | 94 | 477.537 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 11.74 | -69.16 | 1 | 8 | 1 | 90 | 477.537 | 10 | ↓ |
