| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2006 | 30 | 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) | 3.73 | 11.43 | -30.01 | 2 | 5 | 0 | 71 | 421.566 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | -1.91 | -16.43 | 1 | 5 | 0 | 71 | 421.566 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | -1.82 | -29.79 | 2 | 5 | 1 | 72 | 422.574 | 3 | ↓ |
