| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 37 | 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) | 2.62 | 8.5 | -58.2 | 0 | 8 | -1 | 95 | 498.559 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 10.67 | -49.89 | 2 | 8 | 1 | 93 | 500.575 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 10.83 | -77.2 | 1 | 8 | 0 | 96 | 499.567 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 10.95 | -115.03 | 3 | 8 | 2 | 95 | 501.583 | 8 | ↓ |
