UCSF

ZINC38734141

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 34 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) 6.63 15.49 -12.31 2 5 0 70 455.602 9
Lo Low (pH 4.5-6) 6.63 15.75 -29.77 3 5 1 71 456.61 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5385925; US5587393 IBM Patent Data

Activity (Go SEA)

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