UCSF

ZINC05819580

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 10 No

CAS Number: 1271-94-9

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.03 6.09 -6.99 0 1 0 17 136.194 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 329? Alfa-Aesar
Boiling_Point 329° Alfa-Aesar
Melting_Point 36-40? Alfa-Aesar
Melting_Point 36-40° Alfa-Aesar

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

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