| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 33 | 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) | -0.70 | 8.09 | -66.93 | 3 | 10 | -1 | 164 | 453.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | 9.13 | -113.66 | 2 | 10 | -2 | 167 | 452.419 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | 7.15 | -133.64 | 2 | 10 | -2 | 159 | 452.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.70 | 6.1 | -31.17 | 4 | 10 | 0 | 161 | 454.435 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.70 | 6.24 | -38.88 | 4 | 10 | 0 | 161 | 454.435 | 6 | ↓ |
