| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 19 | Yes |
Popular Name: 5-Sulfo-1,2,4-benzenetricarboxylic acid 5-Sulfo-1,2,4-benzenetricarboxyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51307-74-5 , [51307-74-5]
| 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) | -2.50 | 3.1 | -302.09 | 0 | 9 | -4 | 178 | 286.173 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.50 | 1.06 | -191.71 | 1 | 9 | -3 | 175 | 287.181 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.