UCSF

ZINC05212129

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 14 Yes

Popular Name: 3,5-Dimethoxy-4-methylbenzoic acid 3,5-Dimethoxy-4-methylbenzoic acid

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CAS Number: 61040-81-1

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) 2.27 1.31 -48.29 0 4 -1 59 195.194 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 210-216? Alfa-Aesar
Melting_Point 210-216° Alfa-Aesar
MP 211 - 216 Enamine Building Blocks
MP 211...216 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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