UCSF

ZINC50479787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 21 No

CAS Numbers: 76963-41-2 , [76963-41-2]

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) 0.63 4.13 -40.2 2 7 1 88 332.475 10

Vendor Notes

Note Type Comments Provided By
Target Histamine Receptor Selleck Chemicals
Target Others Selleck Chemicals

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

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