UCSF

ZINC02171748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 11 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) 2.93 1.84 -30.96 1 1 1 4 156.293 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604494A1; EP0604494B1; EP0664806A1; EP0812321A1; US5580885; US5854261; WO1993005038A1; WO1994008995A1; WO1996026937A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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