UCSF

ZINC03886511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Other Names:

MFCD03982049

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) 1.69 -4.24 -13.03 2 4 0 63 262.762 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 99 Enamine Building Blocks
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
PUBCHEM_PATENT_ID EP0372315A1; US5041540; US5149789; US5245020 IBM Patent Data

Activity (Go SEA)

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