| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2004 | 30 | 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) | 2.77 | 15.18 | -26.69 | 0 | 7 | 0 | 80 | 419.872 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 15.89 | -59.44 | 0 | 7 | -1 | 82 | 418.864 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 16.4 | -31.33 | 2 | 7 | 1 | 85 | 420.88 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 15.66 | -32.34 | 1 | 7 | 1 | 82 | 420.88 | 3 | ↓ |
