UCSF

ZINC22172997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 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) -0.31 -0.34 -44.13 3 3 1 40 159.253 2
Lo Low (pH 4.5-6) -0.31 1.68 -122.69 4 3 2 41 160.261 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996016980A1 IBM Patent Data

Activity (Go SEA)

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