UCSF

ZINC32234160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 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) 3.93 8.25 -4.71 0 1 0 9 198.265 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5661106; US5840722; US6022884; US6030975; WO1999024404A1 IBM Patent Data
PUBCHEM_PATENT_ID WO2000059905A1 IBM Patent Data

Activity (Go SEA)

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