UCSF

ZINC22916131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 16 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) 1.65 4.67 -45.17 3 2 1 31 219.352 3
Mid Mid (pH 6-8) 1.65 5.91 -31.32 3 2 1 30 219.352 3
Mid Mid (pH 6-8) 1.65 6.29 -124.62 4 2 2 32 220.36 3

Vendor Notes

Note Type Comments Provided By
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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