| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 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) | 3.51 | 10.55 | -27.8 | 3 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 8.99 | -18.65 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 10.1 | -27.74 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 9.55 | -17.61 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 9.28 | -52.55 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 10.5 | -53.2 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 10.39 | -60.62 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 9.84 | -50.41 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
