| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 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) | 3.35 | 9.76 | -196.78 | 5 | 6 | 3 | 73 | 380.516 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 11 | -126.49 | 4 | 6 | 2 | 67 | 379.508 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 9.54 | -43.19 | 3 | 6 | 1 | 63 | 378.5 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.3 | -31.33 | 3 | 6 | 1 | 67 | 378.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 7.71 | -112.07 | 4 | 6 | 2 | 71 | 379.508 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 10.22 | -275.36 | 6 | 6 | 4 | 74 | 381.524 | 8 | ↓ |
