| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2006 | 29 | 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) | 1.14 | 1.81 | -62.75 | 2 | 8 | -1 | 119 | 398.391 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | -3.93 | -16.4 | 3 | 8 | 0 | 116 | 399.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | -4.11 | -17.59 | 2 | 8 | 0 | 113 | 399.399 | 7 | ↓ |
