| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 29 | 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) | 1.43 | 5.29 | -14.98 | 1 | 7 | 0 | 69 | 419.526 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.61 | -14.97 | 1 | 7 | 0 | 72 | 419.526 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 6.48 | -40.38 | 1 | 7 | 0 | 76 | 419.526 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 6.55 | -51.2 | 1 | 7 | 0 | 76 | 419.526 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.33 | -45.58 | 0 | 7 | -1 | 75 | 418.518 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 9.81 | -130.83 | 3 | 7 | 2 | 71 | 421.542 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 7.54 | -54.15 | 2 | 7 | 1 | 70 | 420.534 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 7.5 | -44.63 | 2 | 7 | 1 | 70 | 420.534 | 6 | ↓ |
