UCSF

ZINC56874016

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 28 No

Popular Name: (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al (3S,5R,6S)-5,6-epoxy-3-hydroxy-5…

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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) 6.14 10.39 -12.92 1 3 0 50 382.544 7 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links NCED1_MAIZE; NCED1_PHAVU; NCED2_ARATH; NCED3_ARATH; NCED5_ARATH; NCED6_ARATH; NCED9_ARATH ChEBI

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.