| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 34 | 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) | 2.85 | 9.98 | -76.1 | 1 | 8 | 0 | 93 | 468.55 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 7.45 | -58.56 | 0 | 8 | -1 | 91 | 467.542 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 9.12 | -48.65 | 2 | 8 | 1 | 90 | 469.558 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 1.5 | -50.71 | 1 | 8 | 1 | 86 | 469.558 | 10 | ↓ |
