UCSF

ZINC39351772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 12 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) 3.24 5.1 -1.27 1 1 0 20 170.296 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4935426; US5068245 IBM Patent Data

Activity (Go SEA)

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