| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | -0.87 | 1.58 | -25.31 | 6 | 10 | 0 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 1.69 | -80.46 | 5 | 10 | 0 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 2.31 | -51.6 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 2.62 | -131.5 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 1.77 | -134.94 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 2.8 | -84.55 | 6 | 10 | 0 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 2.7 | -119.18 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 1.95 | -57.07 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
