UCSF

ZINC15206242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 11 No

CAS Numbers: 3615-37-0 , 6155-35-7 , [3615-37-0]

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) -1.63 -7.4 -8.72 4 5 0 90 164.157 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4518589; US4572895 IBM Patent Data

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

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