| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 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) | 4.17 | 14.86 | -72.59 | 5 | 7 | 1 | 92 | 447.394 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 12.48 | -21.22 | 4 | 7 | 0 | 91 | 446.386 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 15.31 | -119.25 | 6 | 7 | 2 | 93 | 448.402 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.17 | 15.75 | -175.49 | 7 | 7 | 3 | 95 | 449.41 | 8 | ↓ |
