UCSF

ZINC28222408

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 27 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) -0.09 -2.4 -31.92 5 10 0 149 373.369 5
Lo Low (pH 4.5-6) -0.09 -1.41 -40.57 6 10 1 150 374.377 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0767842A1; EP0767842B1; EP1004675A3; US5512431; US6132776 IBM Patent Data

Activity (Go SEA)

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