| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 31 | 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) | 2.31 | 6.26 | -58.75 | 0 | 7 | -1 | 82 | 421.473 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 8.6 | -72.9 | 1 | 7 | 0 | 83 | 422.481 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 7.78 | -55.3 | 2 | 7 | 1 | 81 | 423.489 | 7 | ↓ |
