| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 33 | 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) | 3.30 | 10.75 | -40.22 | 1 | 8 | 1 | 73 | 450.563 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 10.4 | -22.31 | 0 | 8 | 0 | 72 | 449.555 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 12.95 | -114.55 | 2 | 8 | 2 | 74 | 451.571 | 7 | ↓ |
