UCSF

ZINC03978829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 33 No

CAS Number: 77-52-1

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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
Ref Reference (pH 7) 6.79 12.18 -51.64 1 3 -1 60 455.703 1
Lo Low (pH 4.5-6) 6.79 10.37 -6.39 2 3 0 58 456.711 1

Vendor Notes

Note Type Comments Provided By
M.P 280.7-281C Indofine Natural Products
M.P 292 °C Indofine Natural Products
Therapy diuretic, antineoplastic, antiulcer SMDC MicroSource
SOLUBILITY Soluble in acetone Indofine Natural Products
APPEARANCE White powder Indofine Natural Products

Activity (Go SEA)

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