UCSF

ZINC19203134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 34 No

CAS Number: 471-53-4

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) 5.62 11.53 -61.55 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.55 -14.99 2 4 0 75 470.694 1

Vendor Notes

Note Type Comments Provided By
APPEARANCE . Indofine Natural Products
M.P 279-280C Indofine Natural Products
M.P 292-295 °C Indofine Natural Products
Therapy antitussive, antiinflammatory, antibacterial SMDC Pharmakon
APPEARANCE White powder Indofine Natural Products

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

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