UCSF

ZINC05849645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 25 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) 4.02 -0.87 -44.42 3 3 1 47 337.487 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1005324A1; EP1021204A2; US5446070; US5656286; US5719197; US6024976; WO1996040086A2; WO1998056334A1; WO1998056348A1; WO1999015210A2; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

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