| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 37 | 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) | 3.86 | 9.85 | -65.52 | 0 | 8 | -1 | 90 | 501.607 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 12.9 | -46.7 | 2 | 8 | 1 | 89 | 503.623 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 13.33 | -92.46 | 3 | 8 | 2 | 90 | 504.631 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 12.18 | -78.15 | 1 | 8 | 0 | 91 | 502.615 | 8 | ↓ |
