| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 27 | 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) | 3.66 | 9.64 | -53.36 | 1 | 7 | -1 | 82 | 400.509 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 8.74 | -94.68 | 0 | 7 | -2 | 88 | 399.501 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 9.8 | -21.6 | 2 | 7 | 0 | 85 | 401.517 | 6 | ↓ |
