UCSF

ZINC30731054

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 24 Yes

Popular Name: C22:2n-6,9 C22:2n-6,9

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CAS Number: 17735-98-7

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) 8.63 16.1 -45.26 0 2 -1 40 335.552 18 ↓
Lo Low (pH 4.5-6) 8.63 14.98 -6.76 1 2 0 37 336.56 18 ↓

Activity (Go SEA)

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