UCSF

ZINC02146989

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 Yes

Popular Name: METHYL 3,5-DIMETHOXY-4-METHYLBENZOATE METHYL 3,5-DIMETHOXY-4-METHYLBEN…

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CAS Number: 60441-79-4

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) 2.53 2.86 -6.53 0 4 0 44 210.229 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 104 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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