| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2009 | 34 | Yes |
| 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) | 3.55 | 7.4 | -19.79 | 2 | 8 | 0 | 98 | 481.622 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 8.57 | -70.1 | 2 | 8 | 0 | 103 | 481.622 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 5.19 | -50.7 | 1 | 8 | -1 | 101 | 480.614 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 9.53 | -54.72 | 3 | 8 | 1 | 100 | 482.63 | 6 | ↓ |
