UCSF

ZINC33965961

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 36 No

Popular Name: Gadobenate Dimeglumine Gadobenate Dimeglumine

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CAS Numbers: 113662-23-0 , 12700-20-8

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) -5.36 7.75 -190.95 2 14 -3 218 510.476 20 ↓
Mid Mid (pH 6-8) -5.36 11.68 -177.98 2 14 -3 222 510.476 20 ↓
Mid Mid (pH 6-8) -5.36 13.21 -140.97 3 14 -2 223 511.484 20 ↓

Activity (Go SEA)

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