| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 54 | 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) | 7.64 | 18.16 | -300.79 | 11 | 8 | 5 | 115 | 732.098 | 25 | ↓ |
| Hi High (pH 8-9.5) | 7.64 | 15.91 | -145.26 | 9 | 8 | 3 | 113 | 730.082 | 25 | ↓ |
| Hi High (pH 8-9.5) | 7.64 | 15.52 | -116.73 | 8 | 8 | 2 | 112 | 729.074 | 25 | ↓ |
| Mid Mid (pH 6-8) | 7.64 | 20.14 | -438.03 | 12 | 8 | 6 | 116 | 733.106 | 25 | ↓ |
| Mid Mid (pH 6-8) | 7.64 | 19.75 | -315.85 | 11 | 8 | 5 | 115 | 732.098 | 25 | ↓ |
