| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2007 | 38 | 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) | 5.24 | 14.19 | -57.27 | 0 | 6 | -1 | 83 | 523.996 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.69 | 13.23 | -29.97 | 1 | 6 | 0 | 80 | 525.004 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 14.23 | -22.58 | 0 | 6 | 0 | 77 | 525.004 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.69 | 13.51 | -63.09 | 2 | 6 | 1 | 81 | 526.012 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.66 | 14.51 | -64.11 | 1 | 6 | 1 | 78 | 526.012 | 8 | ↓ |
