UCSF

ZINC20074020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 13 Yes

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) 1.01 5.75 -122.15 4 2 2 32 180.295 4
Hi High (pH 8-9.5) 1.01 3.65 -38.69 3 2 1 31 179.287 4
Mid Mid (pH 6-8) 1.01 5.45 -33.6 3 2 1 30 179.287 4

Vendor Notes

Note Type Comments Provided By
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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