| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2004 | 30 | Yes |
| 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) | 3.35 | 9.82 | -18.14 | 1 | 7 | 0 | 82 | 426.904 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 10.76 | -37.73 | 3 | 7 | 1 | 86 | 427.912 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 10.3 | -37.76 | 2 | 7 | 1 | 83 | 427.912 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 10.15 | -45.74 | 2 | 7 | 1 | 83 | 427.912 | 7 | ↓ |
