UCSF

ZINC53298644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 20 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) 4.71 7.51 -7.28 2 2 0 36 259.308 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1044586A2; WO1999020081A2 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.