UCSF

ZINC17105006

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 11 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) -1.26 -1.81 -92.58 0 8 -2 106 150.105 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0048165A1; EP0048167A2; EP0048169A2; US4304774; US4338452; US4346076 IBM Patent Data

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

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