| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | 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) | 2.59 | 8.16 | -71.95 | 1 | 7 | 0 | 83 | 428.46 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 5.61 | -58.14 | 0 | 7 | -1 | 82 | 427.452 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 7.02 | -58.25 | 2 | 7 | 1 | 81 | 429.468 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 8.03 | -61.66 | 1 | 7 | 1 | 77 | 429.468 | 8 | ↓ |
