| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 28 | 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) | 1.54 | 3.87 | -65.85 | 1 | 7 | -1 | 99 | 402.448 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 5.23 | -16.48 | 2 | 7 | 0 | 96 | 403.456 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 5.7 | -14.61 | 1 | 7 | 0 | 93 | 403.456 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 4.66 | -12.85 | 0 | 5 | 0 | 46 | 349.5 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 7.01 | -48.09 | 1 | 5 | 1 | 47 | 350.508 | 4 | ↓ |
