UCSF

ZINC15441416

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 13 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) 3.27 6.9 -5.29 0 1 0 13 189.645 1
Lo Low (pH 4.5-6) 3.27 7.11 -33.18 1 1 1 14 190.653 1

Vendor Notes

Note Type Comments Provided By
Purity 96% Fluorochem
PUBCHEM_PATENT_ID US4213982 IBM Patent Data
PUBCHEM_PATENT_ID US5175167; US6034086 IBM Patent Data
PUBCHEM_PATENT_ID US5175167; US6096753 IBM Patent Data

Activity (Go SEA)

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