| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 30 | 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) | 2.57 | 8.21 | -62.19 | 0 | 6 | -1 | 83 | 399.426 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 9.32 | -12.67 | 0 | 6 | 0 | 77 | 400.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.81 | -12.43 | 1 | 6 | 0 | 80 | 400.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 9.6 | -46.41 | 1 | 6 | 1 | 78 | 401.442 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 9.09 | -43.91 | 2 | 6 | 1 | 81 | 401.442 | 5 | ↓ |
