UCSF

ZINC00057754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 5,7-Dimethoxycoumarin 5,7-Dimethoxycoumarin

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CAS Number: 487-06-9

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) 2.03 4.63 -9.29 0 4 0 49 206.197 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 146-149? Alfa-Aesar
MP 146-149o C Indofine
Melting_Point 146-149° Alfa-Aesar
M.P mp 146-149 C Indofine
APPEARANCE Pale buff powder Indofine
Therapy photosensitizing agent SMDC MicroSource
SOLUBILITY Soluble in Chloroform and Acetone Indofine

Activity (Go SEA)

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

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