UCSF

ZINC01568734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 5.34 11.02 -4.51 0 1 0 17 258.405 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4187152; US4271091; US4379925; US4434299 IBM Patent Data

Activity (Go SEA)

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