UCSF

ZINC84847271

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 18 No

CAS Numbers: 13734-38-8 , 18942-50-2

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) 1.62 3.75 -52.68 1 6 -1 91 258.294 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 161-164? Alfa-Aesar
Melting_Point 161-164° Alfa-Aesar
Melting_Point 63-65? Alfa-Aesar

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

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