| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 29 | 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) | 3.77 | 5.2 | -12.33 | 2 | 7 | 0 | 91 | 454.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 6.52 | -39.86 | 1 | 7 | -1 | 94 | 453.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 5.96 | -42.88 | 1 | 7 | -1 | 94 | 453.327 | 4 | ↓ |
