UCSF

ZINC19167934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 12 No

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) 0.73 2.19 -43.63 4 3 1 49 167.232 4
Mid Mid (pH 6-8) 0.73 2.95 -39.54 4 3 1 52 167.232 4
Mid Mid (pH 6-8) 0.73 2.38 -3.83 3 3 0 47 166.224 4

Vendor Notes

Note Type Comments Provided By
MP 105 - 107 Enamine Building Blocks
MP 105...107 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 98 - 100 Enamine Building Blocks

Activity (Go SEA)

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