| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2011 | 26 | Yes |
Popular Name: 5-BROMO-4-CHLORO-3-INDOLYL-N-ACETYL-b-D-GLUCOSAMINIDE; [4264-82-8] 5-BROMO-4-CHLORO-3-INDOLYL-N-ACE…
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CAS Numbers: [129572-48-1] , [4264-82-8]
5-Bromo-4-chloro-3-indolyl-2-acetamido-2-deoxy-beta-D-glucopyranoside
5-Bromo-4-Chloro-3-Indolyl-N-Acetyl-b-D-Glucosaminide [4264-82-8]; (X-GlcNAc)
| 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) | 0.13 | -1.98 | -41.17 | 4 | 8 | -1 | 127 | 448.677 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | -2.44 | -14.26 | 5 | 8 | 0 | 124 | 449.685 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 240 °C(lit.) | Indofine |
No pre-computed analogs available. Try a structural similarity search.