UCSF

ZINC05224800

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 27 No

Popular Name: C.I. 45425 C.I. 45425

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CAS Number: 31395-16-1

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) 6.23 -2.92 -10.71 2 5 0 75 584.103 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 239-241? dec. Alfa-Aesar
Melting_Point 239-241° dec. Alfa-Aesar

Activity (Go SEA)

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

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