| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 28 | No |
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CAS Number: 459155-66-9
| 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) | 3.24 | 6.56 | -9.8 | 1 | 6 | 0 | 108 | 373.46 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 2.58 | -113.39 | 3 | 6 | 2 | 110 | 375.476 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 9.03 | -56.82 | 2 | 6 | 1 | 109 | 374.468 | 3 | ↓ |
