| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 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) | 4.17 | 8.79 | -15.86 | 2 | 6 | 0 | 78 | 437.565 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 9.43 | -53.92 | 0 | 6 | -1 | 77 | 436.557 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 9.39 | -62.18 | 0 | 6 | -1 | 77 | 436.557 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 9.75 | -41.38 | 1 | 6 | -1 | 81 | 436.557 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 9.55 | -55.07 | 1 | 6 | -1 | 81 | 436.557 | 8 | ↓ |
