UCSF

ZINC00403158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 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) 2.97 -0.01 -2.09 0 1 0 13 182.437 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 213-215? Alfa-Aesar
BP 213-215° Matrix Scientific
BP 215 TCI
Melting_Point 70-74? Alfa-Aesar
Melting_Point 70-74° Alfa-Aesar
MP 73 TCI
MP 75-77° Matrix Scientific
MP 75-77°(dec.) Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Solid KeyOrganics

Activity (Go SEA)

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

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