| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 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) | 3.47 | 11.26 | -30.1 | 2 | 5 | 0 | 71 | 407.539 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | -3.04 | -16.78 | 1 | 5 | 0 | 71 | 407.539 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | -2.29 | -34.32 | 2 | 5 | 1 | 72 | 408.547 | 3 | ↓ |
