| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 29 | Yes |
Popular Name: 8-Hydroxypyrene-1,3,6-trisulfonicacidtrisodiumsalt 8-Hydroxypyrene-1,3,6-trisulfoni…
Find On: PubMed — Wikipedia — Google
CAS Number: 27928-00-3
| 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) | -4.47 | -4.63 | -170.12 | 1 | 10 | -3 | 192 | 455.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | -4.47 | -3.87 | -254.89 | 0 | 10 | -4 | 195 | 454.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.