| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 29 | 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) | -0.06 | 0.89 | -56.09 | 4 | 8 | -1 | 139 | 460.26 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 0.42 | -112.93 | 3 | 8 | -2 | 153 | 459.252 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | -0.36 | -87.49 | 4 | 8 | -1 | 150 | 460.26 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 1.6 | -47.16 | 5 | 8 | 0 | 143 | 461.268 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 1.38 | -58.12 | 5 | 8 | 0 | 143 | 461.268 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | -0.91 | -69.27 | 4 | 8 | -1 | 150 | 460.26 | 4 | ↓ |
