UCSF

ZINC20285738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 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) -1.36 -1.98 -42.64 4 4 1 63 158.225 2
Mid Mid (pH 6-8) -1.36 -1.45 -37.96 4 4 1 60 158.225 2
Lo Low (pH 4.5-6) -1.36 -0.06 -107.84 5 4 2 64 159.233 2

Vendor Notes

Note Type Comments Provided By
MP 209 - 211 Enamine Building Blocks
MP 209...211 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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