| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 33 | 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) | 2.85 | 6.69 | -57.75 | 0 | 7 | -1 | 82 | 453.49 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 9.21 | -50.3 | 1 | 7 | 1 | 77 | 455.506 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 9.04 | -70.44 | 1 | 7 | 0 | 83 | 454.498 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 8.22 | -54.27 | 2 | 7 | 1 | 81 | 455.506 | 7 | ↓ |
