UCSF

ZINC14629020

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 3.92 8.23 -40.09 2 1 1 17 218.364 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0406699A2; EP0406699A3; EP0413224A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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