| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 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) | 2.72 | 6.8 | -41.92 | 2 | 7 | 1 | 71 | 410.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 6.12 | -23.07 | 1 | 7 | 0 | 70 | 409.465 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 9.05 | -117.92 | 3 | 7 | 2 | 72 | 411.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 8.99 | -103.47 | 3 | 7 | 2 | 72 | 411.481 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 9.2 | -48.34 | 2 | 7 | 1 | 71 | 410.473 | 5 | ↓ |
