| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 4.53 | 12.77 | -69.97 | 1 | 6 | 0 | 74 | 501.421 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 10.23 | -54.38 | 0 | 6 | -1 | 73 | 500.413 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.97 | 11.45 | -63.18 | 2 | 6 | 1 | 71 | 502.429 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 12.64 | -60.6 | 1 | 6 | 1 | 68 | 502.429 | 9 | ↓ |
