| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 30 | 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) | 3.49 | 10.42 | -74.22 | 1 | 6 | 0 | 74 | 428.554 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 7.89 | -56.39 | 0 | 6 | -1 | 73 | 427.546 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.1 | -44.79 | 2 | 6 | 1 | 71 | 429.562 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 0.07 | -48.34 | 1 | 6 | 1 | 68 | 429.562 | 9 | ↓ |
