UCSF

ZINC23848422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2009 10 No

Other Names:

MFCD12159774

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) -0.46 0.75 -10.02 1 4 0 49 140.142 1
Hi High (pH 8-9.5) -0.27 -1.04 -41.5 0 4 -1 56 139.134 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4198423 IBM Patent Data

Activity (Go SEA)

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