UCSF

ZINC04803809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 10 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) 0.52 -2.68 -5.31 1 3 0 38 146.186 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5155240 IBM Patent Data

Activity (Go SEA)

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