| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 36 | 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) | 3.35 | 11.22 | -57.34 | 0 | 8 | -1 | 108 | 497.556 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 11.46 | -14.28 | 0 | 8 | 0 | 102 | 498.564 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 11.09 | -16.4 | 1 | 8 | 0 | 106 | 498.564 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 11.74 | -43.71 | 1 | 8 | 1 | 104 | 499.572 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 11.38 | -40.21 | 2 | 8 | 1 | 107 | 499.572 | 7 | ↓ |
