UCSF

ZINC17120436

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 20 Yes

Popular Name: 13-cyclopent-2-en-1-yltridec-6-enoic acid 13-cyclopent-2-en-1-yltridec-6-e…

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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) 5.96 12.85 -45.34 0 2 -1 40 277.428 12 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0395014A1; EP0395014B1; EP0686510A1; EP0686510B1; EP0733489A1; EP0733489B1; EP0866889A1; US5268052; US5389429; US5607771; US5720839; US5824858; US5910630; US5968791; US6093568; WO1998004761A1 IBM Patent Data

Activity (Go SEA)

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