UCSF

ZINC60020393

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 5.03 8.07 -8.45 3 3 0 52 363.501 5
Lo Low (pH 4.5-6) 5.03 8.47 -44.24 4 3 1 57 364.509 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0009386A1; US4206225 IBM Patent Data

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

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