| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 30 | No |
None
| 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) | -5.58 | 2.07 | -205.38 | 4 | 14 | -3 | 227 | 432.41 | 18 | ↓ |
| Hi High (pH 8-9.5) | -5.58 | -2.89 | -196.17 | 5 | 14 | -2 | 228 | 433.418 | 18 | ↓ |
| Mid Mid (pH 6-8) | -5.58 | -0.67 | -159.55 | 6 | 14 | -1 | 229 | 434.426 | 18 | ↓ |
| Mid Mid (pH 6-8) | -5.58 | 2.45 | -214.15 | 5 | 14 | -2 | 228 | 433.418 | 18 | ↓ |
| Lo Low (pH 4.5-6) | -5.58 | 1.67 | -162.92 | 7 | 14 | 0 | 231 | 435.434 | 18 | ↓ |
| Lo Low (pH 4.5-6) | -5.58 | -0.56 | -157.37 | 6 | 14 | -1 | 229 | 434.426 | 18 | ↓ |
