| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 28 | 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) | 6.99 | 8.46 | -8.76 | 2 | 4 | 0 | 65 | 454.14 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.99 | 9.99 | -85.9 | 0 | 4 | -2 | 71 | 452.124 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.99 | 9.22 | -41.56 | 1 | 4 | -1 | 68 | 453.132 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 6.99 | 8.94 | -40.71 | 3 | 4 | 1 | 67 | 455.148 | 4 | ↓ |
