| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 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) | 1.40 | 5.07 | -55.5 | 1 | 8 | -1 | 102 | 426.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 7.34 | -63.73 | 2 | 8 | 0 | 103 | 427.501 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 6.58 | -47.61 | 3 | 8 | 1 | 100 | 428.509 | 6 | ↓ |
