UCSF

ZINC39386807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 22 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) -1.80 -5.33 -17.83 4 10 0 151 316.266 5
Hi High (pH 8-9.5) -1.34 -7.86 -60.62 3 10 -1 154 315.258 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0311694A1; EP0311694B1; EP0579771A1; EP0594578A1; EP0594578B1; EP0639584B1; EP0792375A1; EP0871773A2; EP0905259A1; EP1053313A1; US5258284; US5426180; US5455233; US5514546; US5674683; US5683874; US5808036; US5871918; US5872105; US5936079; US5968745; US59 IBM Patent Data

Activity (Go SEA)

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