UCSF

ZINC03885225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 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) 1.66 -4.29 -12.11 0 7 0 92 306.727 3

Vendor Notes

Note Type Comments Provided By
MP 153 - 155 Enamine Building Blocks
MP 153...155 Enamine Building Blocks
melting_point 154 - 156 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5637586 IBM Patent Data

Activity (Go SEA)

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