UCSF

ZINC12030645

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 17 Yes

Popular Name: 4-Methyl-3-(pentanoylamino)benzoic acid 4-Methyl-3-(pentanoylamino)benzo…

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CAS Numbers: 915921-34-5 , [915921-34-5]

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) 3.35 0.56 -66.15 1 4 -1 69 234.275 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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