UCSF

ZINC71404677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 16 Yes

Popular Name: Isobergapten with HPLC [482-48-4] Isobergapten with HPLC [482-48-4]

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Annotations

None

Vendors

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) 2.28 5.66 -13.13 0 4 0 53 216.192 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 222C Indofine
MP 222o C Indofine
SOLUBILITY Soluble in ; Toluene:Ethylformiate:Formic acid (5:4:1) Indofine
SOLUBILITY Soluble in Toluene:ethylformiate:formic acid (5:4:1) Indofine

Activity (Go SEA)

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

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