| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 30 | 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) | 1.36 | 5.35 | -95.47 | 3 | 8 | 2 | 79 | 421.586 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 0.91 | -7.88 | 1 | 8 | 0 | 76 | 419.57 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 3.19 | -45.34 | 2 | 8 | 1 | 77 | 420.578 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 3.07 | -39.59 | 2 | 8 | 1 | 77 | 420.578 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 5.37 | -89.97 | 3 | 8 | 2 | 79 | 421.586 | 7 | ↓ |
