UCSF

ZINC60120090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 38 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) 2.33 16.99 -56.52 1 9 -1 124 508.558 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6107297 IBM Patent Data

Activity (Go SEA)

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

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