UCSF

ZINC21297783

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 No

Popular Name: GADODIAMIDE GADODIAMIDE

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CAS Numbers: 119895-95-3 , 122795-43-1 , 128470-17-7 , 131410-48-5

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) -4.87 0.15 -117.77 4 13 -1 191 418.427 16 ↓
Hi High (pH 8-9.5) -4.87 -1.77 -156 3 13 -2 189 417.419 16 ↓
Lo Low (pH 4.5-6) -4.87 0.58 -142.07 4 13 -1 191 418.427 16 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

Activity (Go SEA)

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