| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 2007 | 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) | 2.94 | 8.17 | -60.58 | 0 | 9 | -1 | 114 | 500.512 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.19 | -30.2 | 1 | 9 | 0 | 111 | 501.52 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | -2.76 | -21.93 | 0 | 9 | 0 | 107 | 501.52 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 7.48 | -60.95 | 2 | 9 | 1 | 112 | 502.528 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | -2.65 | -52.06 | 1 | 9 | 1 | 109 | 502.528 | 5 | ↓ |
