UCSF

ZINC12359948

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 No

Popular Name: ETHYLENEBIS(ISOTHIOURONIUM BROMIDE) ETHYLENEBIS(ISOTHIOURONIUM BROMIDE)

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6943-65-3 , 96-83-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.48 -1.13 -80.58 8 4 2 103 180.302 5 ↓
Hi High (pH 8-9.5) -0.48 -1.01 -34.85 7 4 1 101 179.294 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 224-226? Alfa-Aesar
Melting_Point 224-226° Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.