UCSF

ZINC17720254

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 8 No

CAS Numbers: 627-64-5 , 928-01-8

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) -1.70 -4.39 -9.96 4 4 0 86 114.104 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 276 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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