| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2009 | 32 | Yes |
| 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) | 3.58 | 8.21 | -86.69 | 2 | 8 | 0 | 100 | 448.449 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 5.77 | -48.81 | 1 | 8 | -1 | 99 | 447.441 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 9.02 | -66.48 | 3 | 8 | 1 | 97 | 449.457 | 8 | ↓ |
