| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 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) | 3.89 | 9.11 | -58.71 | 0 | 8 | -1 | 91 | 507.607 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | -0.65 | -50.27 | 1 | 8 | 1 | 86 | 509.623 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 11.44 | -78.13 | 1 | 8 | 0 | 93 | 508.615 | 12 | ↓ |
