UCSF

ZINC02571330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 7 Yes

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) 2.52 4.94 -1.36 0 0 0 0 102.152 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 103-105? Alfa-Aesar
BP 103-105° Matrix Scientific
BP 104 TCI
MP 13 TCI
Melting_Point 13? Alfa-Aesar
Melting_Point 13° Alfa-Aesar
Purity 97% Matrix Scientific
bp 98 - 100 MolMall (formerly Molecular Diversity Preservation International)
Warnings FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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