| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 34 | Yes |
| 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) | 4.06 | -2.3 | -15.62 | 1 | 6 | 0 | 72 | 465.582 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | -2.09 | -40.01 | 2 | 6 | 1 | 73 | 466.59 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -2.16 | -44.37 | 2 | 6 | 1 | 73 | 466.59 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -1.95 | -110.42 | 3 | 6 | 2 | 75 | 467.598 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -2.18 | -49.22 | 2 | 6 | 1 | 73 | 466.59 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -1.98 | -85.41 | 3 | 6 | 2 | 75 | 467.598 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -2.04 | -85.34 | 3 | 6 | 2 | 75 | 467.598 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | -1.84 | -163.38 | 4 | 6 | 3 | 76 | 468.606 | 8 | ↓ |
