UCSF

ZINC04100713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

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) 2.13 0.28 -8.55 2 4 0 72 166.18 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0280156A2; EP0280156B1; EP0416118B1; US3957860; US4051123; US4118232; US5041672; WO2000042031A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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