UCSF

ZINC34581098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 9 No

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) -0.22 -1.75 -12.5 1 4 0 48 131.131 2
Lo Low (pH 4.5-6) -0.59 -3.71 -32.5 2 4 1 53 132.139 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5182296; US5332754 IBM Patent Data

Activity (Go SEA)

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