| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 29 | 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) | 2.27 | 4.56 | -66.18 | 1 | 7 | -1 | 99 | 396.419 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | -1.65 | -12.49 | 2 | 7 | 0 | 96 | 397.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | -1.74 | -19.58 | 1 | 7 | 0 | 93 | 397.427 | 8 | ↓ |
