UCSF

ZINC60018918

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 17 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) 4.08 10.12 -49.46 0 2 -1 40 235.347 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4206140 IBM Patent Data

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

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