| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 33 | 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) | 4.55 | 12.25 | -76.14 | 1 | 6 | 0 | 74 | 450.579 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 9.73 | -59.18 | 0 | 6 | -1 | 73 | 449.571 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 12.09 | -46.74 | 1 | 6 | 1 | 68 | 451.587 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 12.06 | -44.23 | 2 | 6 | 1 | 71 | 451.587 | 7 | ↓ |
