| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 32 | 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 | 11.38 | -56.04 | 0 | 5 | -1 | 73 | 445.926 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 0.12 | -11.44 | 0 | 5 | 0 | 67 | 446.934 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.18 | 0.5 | -41.23 | 2 | 5 | 1 | 71 | 447.942 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.15 | 0.24 | -41.09 | 1 | 5 | 1 | 68 | 447.942 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.73 | 10.56 | -13.88 | 1 | 5 | 0 | 71 | 446.934 | 6 | ↓ |
