| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 31 | 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) | 2.70 | 4.35 | -58.27 | 1 | 8 | -1 | 108 | 491.314 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.25 | -116.99 | 0 | 8 | -2 | 111 | 490.306 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 3.59 | -16.07 | 2 | 8 | 0 | 106 | 492.322 | 8 | ↓ |
