UCSF

ZINC39322945

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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
Hi High (pH 8-9.5) 1.92 2.44 -6.86 2 3 0 41 235.327 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4076843; US4267373 IBM Patent Data

Activity (Go SEA)

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