| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 18 | Yes |
Popular Name: 4-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid 4-[(4,6-Dimethylpyrimidin-2-yl)a…
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CAS Numbers: 81261-97-4 , [81261-97-4]
| 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) | 2.90 | 8.78 | -52.49 | 1 | 5 | -1 | 78 | 242.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.90 | 9.21 | -66.07 | 2 | 5 | 0 | 79 | 243.266 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95%+ | Fluorochem |
| MP | > 335° | Fluorochem |
| MP | >335° | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.