UCSF

ZINC00154100

Annotations

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) 1.42 3.56 -5.86 0 2 0 37 138.557 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-106?/15mm Alfa-Aesar
BP 104-106°/15mm Matrix Scientific
BP 106 / 15 TCI
MP 49° Matrix Scientific
MP 69-71° Matrix Scientific
Melting_Point 69-72? Alfa-Aesar
Melting_Point 69-72° Alfa-Aesar
melting_point 70 - 72 KeyOrganics
MP 71-73° Oakwood Chemical
MP 72 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

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