| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 33 | 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) | 3.84 | 9 | -41.86 | 1 | 7 | -1 | 111 | 461.519 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 8.19 | -22.13 | 2 | 7 | 0 | 108 | 462.527 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 9.47 | -16.17 | 1 | 7 | 0 | 105 | 462.527 | 5 | ↓ |
