| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2008 | 25 | 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) | 1.86 | 2.43 | -14 | 3 | 6 | 0 | 121 | 331.379 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.22 | -48.3 | 2 | 6 | -1 | 124 | 330.371 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 3.89 | -104.41 | 4 | 6 | 2 | 122 | 333.395 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 2.27 | -50.28 | 4 | 6 | 1 | 122 | 332.387 | 1 | ↓ |
