| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2014 | 26 | No |
Popular Name: 3-Hydroxy-4-(2-hydroxy-5-methylphenylazo)-1-naphthalenesulfonic acid 3-Hydroxy-4-(2-hydroxy-5-methylp…
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CAS Number: 3147-14-6
| 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) | 2.16 | 1.31 | -52.87 | 2 | 7 | -1 | 122 | 371.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 0.72 | -107.51 | 1 | 7 | -2 | 125 | 370.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 2.08 | -118.1 | 1 | 7 | -2 | 125 | 370.386 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | >330? | Alfa-Aesar |
| Melting_Point | >330° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.