| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 35 | 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 | 9.84 | -53.34 | 0 | 8 | -1 | 105 | 488.476 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 9.01 | -26.64 | 0 | 8 | 0 | 99 | 489.484 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 8.04 | -32.77 | 1 | 8 | 0 | 102 | 489.484 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 8.33 | -66.91 | 2 | 8 | 1 | 103 | 490.492 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 9.3 | -58.36 | 1 | 8 | 1 | 100 | 490.492 | 4 | ↓ |
