| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 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) | 3.04 | 9.47 | -33.14 | 1 | 6 | 0 | 66 | 403.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.13 | -45.11 | 0 | 6 | -1 | 65 | 402.474 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 9.57 | -52.96 | 1 | 6 | 0 | 66 | 403.482 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 8.97 | -53.5 | 2 | 6 | 1 | 63 | 404.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 6.63 | -11.3 | 1 | 6 | 0 | 62 | 403.482 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 8.85 | -57.5 | 2 | 6 | 1 | 63 | 404.49 | 3 | ↓ |
