UCSF

ZINC22016981

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 28 No

Popular Name: Gadoteridol Gadoteridol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120066-54-8 , 121915-83-1

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) -4.68 5.21 -97.76 3 11 -1 156 403.456 8 ↓
Hi High (pH 8-9.5) -4.68 2.97 -140.52 2 11 -2 155 402.448 8 ↓
Mid Mid (pH 6-8) -4.68 2.57 -129.27 3 11 -1 156 403.456 8 ↓
Mid Mid (pH 6-8) -4.68 4.27 -170.32 4 11 0 157 404.464 8 ↓
Lo Low (pH 4.5-6) -4.68 8.65 -197.36 5 11 1 158 405.472 8 ↓
Lo Low (pH 4.5-6) -4.68 4.05 -124.42 4 11 0 157 404.464 8 ↓
Lo Low (pH 4.5-6) -4.68 2.34 -111.61 3 11 -1 156 403.456 8 ↓
Lo Low (pH 4.5-6) -4.68 3.35 -100.02 4 11 0 153 404.464 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.12e+01 g/l DrugBank-approved
therap paramagnetic agent MicroSource Spectrum

Activity (Go SEA)

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