UCSF

ZINC03886123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 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) 2.80 5.46 -7.03 3 3 0 55 201.273 1
Lo Low (pH 4.5-6) 2.80 5.49 -31.29 4 3 1 56 202.281 1

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
MP 145 - 147 Enamine Building Blocks
MP 145,3 - 147,3 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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