| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 32 | 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) | 4.25 | 12.01 | -64.36 | 0 | 5 | -1 | 73 | 425.508 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 0.67 | -11.91 | 0 | 5 | 0 | 67 | 426.516 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.69 | 1.04 | -40.35 | 2 | 5 | 1 | 71 | 427.524 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.66 | 0.78 | -41.36 | 1 | 5 | 1 | 68 | 427.524 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.25 | 11.18 | -16.43 | 1 | 5 | 0 | 71 | 426.516 | 6 | ↓ |
