| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 33 | 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) | 2.76 | 11.72 | -15.29 | 1 | 8 | 0 | 80 | 447.539 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 13.98 | -46.12 | 2 | 8 | 1 | 81 | 448.547 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 12.18 | -38.87 | 2 | 8 | 1 | 81 | 448.547 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 14.45 | -98.74 | 3 | 8 | 2 | 82 | 449.555 | 7 | ↓ |
