UCSF

ZINC20284791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 Yes

Other Names:

MFCD08444932

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) 2.72 6.88 -12.15 2 4 0 57 239.278 2
Lo Low (pH 4.5-6) 2.72 7.01 -26.34 3 4 1 58 240.286 2

Vendor Notes

Note Type Comments Provided By
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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