| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 38 | 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) | 4.73 | 13.75 | -57.52 | 0 | 6 | -1 | 83 | 507.541 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 12.78 | -30.62 | 1 | 6 | 0 | 80 | 508.549 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 13.76 | -24.79 | 0 | 6 | 0 | 77 | 508.549 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 13.06 | -64.07 | 2 | 6 | 1 | 81 | 509.557 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 14.04 | -67.64 | 1 | 6 | 1 | 78 | 509.557 | 8 | ↓ |
