| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 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) | -2.01 | 0.42 | -72.86 | 6 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.01 | -0.74 | -141.12 | 4 | 10 | -2 | 184 | 442.424 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -0.36 | -128.38 | 4 | 10 | 0 | 184 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | 1.8 | -102.75 | 5 | 10 | 0 | 185 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.27 | -1.36 | -32.34 | 5 | 10 | 0 | 181 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.01 | -1.74 | -73.4 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | 0.94 | -61.59 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | 1.48 | -105.14 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.27 | -1.57 | -53.98 | 7 | 10 | 0 | 180 | 445.448 | 2 | ↓ |
