| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 31 | 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) | 2.15 | 6.36 | -58.31 | 0 | 7 | -1 | 86 | 505.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 8.22 | -47.13 | 2 | 7 | 1 | 84 | 507.43 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 8.7 | -72.09 | 1 | 7 | 0 | 87 | 506.422 | 6 | ↓ |
