UCSF

ZINC01576259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 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) -2.82 -3.92 -48.78 4 5 0 96 174.2 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0184550A2; EP0184550B1; US4727060; US4931591 IBM Patent Data

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

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