UCSF

ZINC02580722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 2.29 -4.26 -7.97 3 3 0 55 212.337 5

Vendor Notes

Note Type Comments Provided By
melting_point 1.460000000000000e+002 - 1.480000000000000e+002 KeyOrganics
melting_point 146 - 148 KeyOrganics
MP 146-148° Matrix Scientific
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0788511A1; US6107458; WO1996011210A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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