UCSF

ZINC01593181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

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) 1.91 4.96 -143.63 0 3 -2 63 206.137 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0487343A1; EP0487343B1; EP0629395A1; EP0629395B1; US4960861 IBM Patent Data

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

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