| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 34 | 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) | 4.28 | 10.55 | -62.47 | 0 | 6 | -1 | 83 | 455.534 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 0.79 | -14.59 | 0 | 6 | 0 | 76 | 456.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 1.08 | -40.56 | 2 | 6 | 1 | 80 | 457.55 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 0.9 | -43.27 | 1 | 6 | 1 | 77 | 457.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 9.72 | -17.55 | 1 | 6 | 0 | 80 | 456.542 | 7 | ↓ |
