UCSF

ZINC01566105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 15 Yes

Other Names:

MFCD16089929

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) -0.69 1.26 -13.59 4 7 0 113 206.209 3
Lo Low (pH 4.5-6) -0.69 1.52 -37.72 5 7 1 114 207.217 3
Lo Low (pH 4.5-6) -0.69 -2.86 -37.28 5 7 1 114 207.217 3

Vendor Notes

Note Type Comments Provided By
MP 255 - 257 Enamine Building Blocks
MP 255...257 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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