UCSF

ZINC02600067

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 Yes

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

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CAS Number: 75238-29-8

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) 2.39 0.25 -7.78 2 4 0 67 182.175 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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