| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 29 | 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) | 1.55 | 7.68 | -71.79 | 1 | 7 | 0 | 87 | 395.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 5.15 | -57.43 | 0 | 7 | -1 | 86 | 394.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 8.37 | -50.8 | 2 | 7 | 1 | 84 | 396.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 8.33 | -49.93 | 1 | 7 | 1 | 81 | 396.467 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 8.64 | -104.44 | 3 | 7 | 2 | 85 | 397.475 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 8.61 | -106.77 | 2 | 7 | 2 | 82 | 397.475 | 7 | ↓ |
