| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 35 | 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) | 0.33 | 2.73 | -61.05 | 0 | 10 | -1 | 123 | 499.569 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 5.77 | -57.48 | 1 | 10 | 1 | 118 | 501.585 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 5.77 | -56.42 | 2 | 10 | 1 | 122 | 501.585 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 5.08 | -70.8 | 1 | 10 | 0 | 124 | 500.577 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 6.06 | -112.7 | 3 | 10 | 2 | 123 | 502.593 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | 6.06 | -121.05 | 2 | 10 | 2 | 120 | 502.593 | 8 | ↓ |
