UCSF

ZINC16698316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 1.19 5.02 -8.01 0 3 0 31 145.165 1
Lo Low (pH 4.5-6) 1.19 5.28 -34.08 1 3 1 32 146.173 1

Vendor Notes

Note Type Comments Provided By
MP 37 - 39 Enamine Building Blocks
MP 37...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID WO1998017276A1; WO1998017660A1 IBM Patent Data

Activity (Go SEA)

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