| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 36 | 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) | 3.22 | 7.81 | -62.9 | 0 | 8 | -1 | 95 | 489.548 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 10.09 | -75.15 | 1 | 8 | 0 | 96 | 490.556 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 9.34 | -49.4 | 2 | 8 | 1 | 94 | 491.564 | 8 | ↓ |
