| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 32 | No |
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CAS Number: [84083-08-9]
| 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) | 1.18 | 1.27 | -51.03 | 3 | 12 | -1 | 197 | 459.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 1.65 | -197.05 | 1 | 12 | -3 | 203 | 457.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.28 | -102.66 | 2 | 12 | -2 | 200 | 458.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 3.06 | -209.38 | 1 | 12 | -3 | 203 | 457.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 4.05 | -102.61 | 2 | 12 | -2 | 197 | 458.408 | 5 | ↓ |
