| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 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) | 4.03 | 13.38 | -51.59 | 0 | 9 | -1 | 128 | 500.531 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | 12.72 | -16.63 | 1 | 9 | 0 | 126 | 501.539 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 13.28 | -19.81 | 0 | 9 | 0 | 122 | 501.539 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 13.56 | -61.02 | 1 | 9 | 1 | 124 | 502.547 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 12.21 | -65.2 | 2 | 9 | 1 | 127 | 502.547 | 8 | ↓ |
