UCSF

ZINC04578937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 19 No

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) -1.16 2.39 -33.12 0 6 0 74 268.313 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998041561A1 IBM Patent Data

Activity (Go SEA)

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