| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 28 | Yes |
| 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) | 0.40 | 9.37 | -116.49 | 3 | 6 | 0 | 93 | 395.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 9.42 | -74.46 | 2 | 6 | -1 | 91 | 394.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 7.35 | -69.22 | 4 | 6 | 1 | 90 | 396.389 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.35 | 6.53 | -94.52 | 4 | 6 | 1 | 96 | 396.389 | 2 | ↓ |
