| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 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) | 2.83 | 7.3 | -56.55 | 0 | 6 | -1 | 79 | 398.41 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 0.51 | -12.99 | 0 | 6 | 0 | 72 | 399.418 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 6.49 | -15.12 | 1 | 6 | 0 | 76 | 399.418 | 8 | ↓ |
