| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 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) | 0.73 | 2.72 | -48.91 | 5 | 9 | 1 | 106 | 443.5 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 5.51 | -53.63 | 5 | 9 | 1 | 108 | 443.5 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 3.34 | -21.37 | 4 | 9 | 0 | 107 | 442.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.71 | 1.75 | -49.17 | 5 | 9 | 1 | 106 | 443.5 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 4.95 | -130.67 | 6 | 9 | 2 | 107 | 444.508 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -3.71 | 2.05 | -132.34 | 6 | 9 | 2 | 108 | 444.508 | 7 | ↓ |
