| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 34 | No |
None
None
| 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) | 2.96 | 4.93 | -43.19 | 3 | 8 | 1 | 97 | 487.96 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 3.24 | -46.81 | 1 | 8 | -1 | 98 | 485.944 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 5.51 | -29.84 | 2 | 8 | 0 | 100 | 486.952 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 2.68 | -11.4 | 2 | 8 | 0 | 96 | 486.952 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 5.01 | -42.42 | 3 | 8 | 1 | 97 | 487.96 | 5 | ↓ |
