| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 30 | 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) | 3.45 | 9.93 | -36.29 | 2 | 7 | 1 | 83 | 472.363 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 10.85 | -36.94 | 3 | 7 | 1 | 86 | 472.363 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.45 | -18.28 | 1 | 7 | 0 | 82 | 471.355 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 9.79 | -42.14 | 2 | 7 | 1 | 83 | 472.363 | 7 | ↓ |
