| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 32 | 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) | 1.78 | 3.41 | -60.01 | 1 | 8 | -1 | 102 | 437.472 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5.67 | -74.4 | 2 | 8 | 0 | 104 | 438.48 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 4.92 | -56.72 | 3 | 8 | 1 | 101 | 439.488 | 7 | ↓ |
