UCSF

ZINC15441187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 16 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) 3.24 5.44 -5.59 1 2 0 29 214.264 4

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0677039A1; EP0677039B1; US4252984; US4311708; US4342783; US5631401; US5783593; WO1995012572A1; WO1995021815A1; WO1996034850A1; WO1996034851A1 IBM Patent Data

Activity (Go SEA)

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