| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 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) | 2.00 | 8.67 | -61.17 | 0 | 7 | -1 | 96 | 403.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.86 | -13.87 | 0 | 7 | 0 | 90 | 404.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 7.49 | -15.39 | 1 | 7 | 0 | 93 | 404.422 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 8.13 | -44.09 | 1 | 7 | 1 | 91 | 405.43 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7.76 | -43.3 | 2 | 7 | 1 | 94 | 405.43 | 6 | ↓ |
