UCSF

ZINC05941224

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 18 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) -1.39 -1.69 -53.5 6 8 1 127 251.27 2
Lo Low (pH 4.5-6) -1.39 -1.42 -117.07 7 8 2 128 252.278 2
Lo Low (pH 4.5-6) -1.39 -5.8 -105.08 7 8 2 128 252.278 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4997926 IBM Patent Data

Activity (Go SEA)

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