| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 34 | 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) | 5.25 | 13.83 | -69.01 | 1 | 6 | 0 | 74 | 505.442 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 11.3 | -50.72 | 0 | 6 | -1 | 73 | 504.434 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.69 | 12.45 | -62.47 | 2 | 6 | 1 | 71 | 506.45 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 13.69 | -60.9 | 1 | 6 | 1 | 68 | 506.45 | 9 | ↓ |
