| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 34 | 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) | 5.48 | 12.87 | -66.18 | 0 | 6 | -1 | 83 | 455.534 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.93 | 12.2 | -23.62 | 1 | 6 | 0 | 80 | 456.542 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.93 | 12.47 | -35.97 | 2 | 6 | 1 | 81 | 457.55 | 6 | ↓ |
