UCSF

ZINC04543849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 16 Yes

CAS Number: 84709-35-3

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) 0.90 -4.22 -5.37 1 5 0 57 232.276 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0247721A1; US4857102; US4963173; US4964897; US4964904; US6143443 IBM Patent Data

Activity (Go SEA)

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