UCSF

ZINC02575042

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 12-Methyltridecanoic acid 12-Methyltridecanoic acid

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CAS Number: 2724-57-4

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) 5.52 2.32 -44.95 0 2 -1 40 227.368 11 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1576953 ChEBI

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