UCSF

ZINC02559822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

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) 3.54 2.92 -9.99 0 2 0 26 212.248 4

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 83 KeyOrganics
MP 81-83° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US3174937 IBM Patent Data

Activity (Go SEA)

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