| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 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) | 3.76 | 9.56 | -59.66 | 0 | 6 | -1 | 83 | 492.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 9.61 | -13.4 | 1 | 6 | 0 | 80 | 493.357 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | -0.42 | -14 | 0 | 6 | 0 | 76 | 493.357 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | -0.31 | -45.5 | 1 | 6 | 1 | 77 | 494.365 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.20 | 9.89 | -39.13 | 2 | 6 | 1 | 81 | 494.365 | 5 | ↓ |
