UCSF

ZINC00058008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: 3(2'-Chlorophenyl)-7-Methoxy-4-Methylcoumarin 3(2'-Chlorophenyl)-7-Methoxy-4-M…

Find On: PubMed — Wikipedia — Google

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) 4.78 3.06 -14.02 0 3 0 39 300.741 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P 136-137 C Indofine
MP 136-137o C Indofine
APPEARANCE Off white crystalline powder Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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

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