| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2011 | 32 | Yes |
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CAS Numbers: 1245319-54-3 , [124534-88-9]
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
4-(5-amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)-N-p-tolylpiperazine-1-carboxamide
| 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) | 3.33 | 9.88 | -14.15 | 3 | 9 | 0 | 113 | 446.54 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 10.36 | -36.62 | 4 | 9 | 1 | 114 | 447.548 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.