| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 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) | 3.78 | 9.62 | -61.34 | 0 | 8 | -1 | 90 | 501.607 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 0.04 | -55.44 | 1 | 8 | 1 | 85 | 503.623 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 0.59 | -89.23 | 3 | 8 | 2 | 89 | 504.631 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 0.21 | -88.29 | 2 | 8 | 2 | 86 | 504.631 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.96 | -70 | 1 | 8 | 0 | 91 | 502.615 | 7 | ↓ |
