| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2007 | 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) | 5.01 | 14.03 | -41.52 | 0 | 6 | -1 | 83 | 483.588 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 1.13 | -22.1 | 0 | 6 | 0 | 76 | 484.596 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.46 | 13.52 | -19.74 | 1 | 6 | 0 | 80 | 484.596 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 13.8 | -44.3 | 2 | 6 | 1 | 81 | 485.604 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.43 | 1.25 | -53.56 | 1 | 6 | 1 | 77 | 485.604 | 9 | ↓ |
