UCSF

ZINC31989998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -1.14 -2.87 -62.71 3 4 1 65 205.303 1
Mid Mid (pH 6-8) -1.14 -3.16 -9.31 2 4 0 63 204.295 1

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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