| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 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) | -0.69 | -0.91 | -55.46 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 0.09 | -115.47 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.42 | -3.43 | -68.92 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | -2.84 | -62.59 | 8 | 10 | 1 | 183 | 445.448 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | -0.91 | -105.37 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | -0.74 | -41.24 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.42 | -4.4 | -20.45 | 7 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.42 | -2.13 | -51.08 | 8 | 10 | 1 | 183 | 445.448 | 1 | ↓ |
