| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 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) | 4.70 | 11.97 | -57.1 | 0 | 7 | -1 | 92 | 505.55 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 12.44 | -12.84 | 0 | 7 | 0 | 86 | 506.558 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.15 | 11.77 | -10.35 | 1 | 7 | 0 | 89 | 506.558 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.12 | 12.74 | -49.36 | 1 | 7 | 1 | 87 | 507.566 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.15 | 12.07 | -46.38 | 2 | 7 | 1 | 90 | 507.566 | 8 | ↓ |
