| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 31 | 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) | 3.44 | 1.3 | -10.88 | 4 | 7 | 0 | 108 | 458.82 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | -1.33 | -45.34 | 3 | 7 | -1 | 114 | 457.812 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | -0.19 | -45.43 | 5 | 7 | 1 | 113 | 459.828 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | -0.14 | -44.81 | 5 | 7 | 1 | 113 | 459.828 | 6 | ↓ |
