| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 28 | No |
None
| 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) | 1.63 | 7.45 | -49.88 | 2 | 6 | 1 | 57 | 407.535 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 5.23 | -19.13 | 1 | 6 | 0 | 56 | 406.527 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 7.44 | -55.2 | 2 | 6 | 1 | 57 | 407.535 | 6 | ↓ |
