UCSF

ZINC20156635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 10 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) 2.06 4.65 -9.66 1 2 0 29 152.584 0
Lo Low (pH 4.5-6) 2.06 5.13 -34.39 2 2 1 30 153.592 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0095285A1; EP0141619A2; US4493842; US4610997 IBM Patent Data
PUBCHEM_PATENT_ID US4197111 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.