| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 37 | 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) | 3.60 | 9.42 | -56.67 | 0 | 8 | -1 | 91 | 528.025 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 11.68 | -76.33 | 1 | 8 | 0 | 93 | 529.033 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 10.92 | -57.5 | 2 | 8 | 1 | 90 | 530.041 | 11 | ↓ |
