UCSF

ZINC03869506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 9 Yes

CAS Number: 60299-43-6

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) -2.06 -5.37 -8.89 3 4 0 77 134.131 3

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DXR1_BACAN; DXR1_BACCR; DXR1_BACCZ; DXR1_BACHK; DXR2_BACAN; DXR2_BACCR; DXR2_BACCZ; DXR2_BACHK; DXR_ACAM1; DXR_ACIAD; DXR_ACIB3; DXR_ACIB5; DXR_ACIBC; DXR_ACIBS; DXR_ACIBT; DXR_ACIBY; DXR_ACIF2; DXR_ACIF5; DXR_ACTP2; DXR_ACTPJ; DXR_AERHH; DXR_AERS4; DXR_A ChEBI
Patent Database Links US2004176570 ChEBI

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

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