| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 28 | 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) | 3.23 | 11.84 | -74.64 | 1 | 5 | 0 | 65 | 378.472 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 9.3 | -61.44 | 0 | 5 | -1 | 64 | 377.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 12.04 | -57.8 | 1 | 5 | 1 | 59 | 379.48 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 10.87 | -49.11 | 2 | 5 | 1 | 62 | 379.48 | 6 | ↓ |
