UCSF

ZINC26544764

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) -0.80 5.07 -60.7 0 4 -1 60 184.215 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5646276; US5654294; US5723602; US5856477; US5859239 IBM Patent Data

Activity (Go SEA)

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