| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 39 | 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) | 4.43 | 11.96 | -17.5 | 1 | 8 | 0 | 98 | 530.621 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 12.66 | -23.66 | 0 | 8 | 0 | 95 | 530.621 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 4.88 | 11.92 | -57.6 | 2 | 8 | 1 | 99 | 531.629 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 12.94 | -58.74 | 1 | 8 | 1 | 96 | 531.629 | 13 | ↓ |
