| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 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) | 1.42 | 4.56 | -21.78 | 2 | 8 | 0 | 112 | 451.401 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 5.53 | -42.22 | 1 | 8 | 0 | 115 | 450.393 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 5.68 | -32.43 | 1 | 8 | 0 | 115 | 450.393 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.61 | -24.53 | 2 | 8 | 0 | 112 | 451.401 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 5.31 | -46.96 | 3 | 8 | 0 | 120 | 451.401 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 2.62 | -124.48 | 5 | 8 | 2 | 122 | 453.417 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 1.44 | -48.7 | 4 | 8 | 1 | 120 | 452.409 | 7 | ↓ |
