| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 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 | 7.17 | -45.61 | 1 | 7 | -1 | 99 | 503.369 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 8.09 | -106.52 | 0 | 7 | -2 | 102 | 502.361 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 6.41 | -12.88 | 2 | 7 | 0 | 96 | 504.377 | 8 | ↓ |
