| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2007 | 37 | 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) | 3.50 | 10 | -46.19 | 0 | 8 | -1 | 101 | 501.559 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 0.52 | -16.57 | 0 | 8 | 0 | 95 | 502.567 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 0.77 | -47.72 | 2 | 8 | 1 | 99 | 503.575 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 0.63 | -55.54 | 1 | 8 | 1 | 96 | 503.575 | 10 | ↓ |
