UCSF

ZINC02562361

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: 2-Dehydro-3-deoxy-D-octonate 2-Dehydro-3-deoxy-D-octonate

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CAS Number: 10149-14-1

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) -3.78 -10.66 -52.74 5 8 -1 158 237.184 7 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GUTQ_ECO57; GUTQ_ECOL6; GUTQ_ECOLI; GUTQ_SALTI; GUTQ_SALTY; GUTQ_SHIFL; KPSU1_ECOLX; KPSU5_ECOLX ChEBI

Activity (Go SEA)

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