| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2006 | 34 | 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) | 2.24 | 7.48 | -62.88 | 0 | 8 | -1 | 101 | 459.478 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 0.32 | -20.54 | 1 | 8 | 0 | 98 | 460.486 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 0.4 | -24.61 | 0 | 8 | 0 | 95 | 460.486 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 0.8 | -56.36 | 2 | 8 | 1 | 99 | 461.494 | 7 | ↓ |
