| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 24 | 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) | 1.65 | 8.43 | -34.98 | 1 | 4 | 1 | 33 | 325.48 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 5.67 | -5.76 | 0 | 4 | 0 | 32 | 324.472 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 8.62 | -40.36 | 1 | 4 | 1 | 33 | 325.48 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 9.45 | -77.13 | 2 | 4 | 2 | 35 | 326.488 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 9.79 | -167.76 | 3 | 4 | 3 | 36 | 327.496 | 7 | ↓ |
