| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2006 | 31 | Yes |
| 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) | 2.78 | 7.61 | -17.37 | 2 | 8 | 0 | 102 | 426.517 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.86 | -45.27 | 1 | 8 | -1 | 105 | 425.509 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 7.45 | -39.46 | 3 | 8 | 1 | 103 | 427.525 | 10 | ↓ |
