| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 37 | 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) | 3.37 | 10.47 | -54.2 | 0 | 8 | -1 | 111 | 518.615 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | -3.28 | -25.65 | 0 | 8 | 0 | 104 | 519.623 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | -3.57 | -33.35 | 1 | 8 | 0 | 107 | 519.623 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | -3.46 | -58.06 | 2 | 8 | 1 | 109 | 520.631 | 7 | ↓ |
