| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 38 | 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) | 3.07 | 9 | -42.74 | 1 | 9 | -1 | 113 | 515.638 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 11.26 | -67.21 | 2 | 9 | 0 | 114 | 516.646 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 9.46 | -17.55 | 2 | 9 | 0 | 114 | 516.646 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 11.72 | -51.94 | 3 | 9 | 1 | 116 | 517.654 | 7 | ↓ |
