| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 22 | Yes |
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CAS Number: 1212390-99-2
| 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) | 2.43 | 5.06 | -12.19 | 1 | 5 | 0 | 62 | 315.398 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 5.4 | -36.24 | 2 | 5 | 1 | 64 | 316.406 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 2.92 | -32.64 | 2 | 5 | 1 | 67 | 316.406 | 1 | ↓ |
