UCSF

ZINC19436817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 Yes

Other Names:

MFCD09933075

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) -0.30 -1.21 -60.93 5 4 1 77 195.242 4
Hi High (pH 8-9.5) -0.30 -0.42 -92.25 4 4 0 80 194.234 4

Vendor Notes

Note Type Comments Provided By
MP 136 - 138 Enamine Building Blocks
MP 136...138 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Rings

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