| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 31 | Yes |
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CAS Number: 338792-94-2
None
| 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) | 4.63 | 10.18 | -45.58 | 2 | 5 | 1 | 45 | 489.271 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 7.86 | -5.06 | 1 | 5 | 0 | 44 | 488.263 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 87 - 89 | KeyOrganics |
