| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 21 | Yes |
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CAS Number: 682334-53-8
| 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) | 1.86 | 4.98 | -12.53 | 1 | 5 | 0 | 62 | 301.371 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 5.39 | -37.72 | 2 | 5 | 1 | 64 | 302.379 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 3.19 | -34.4 | 2 | 5 | 1 | 67 | 302.379 | 0 | ↓ |
