UCSF

ZINC22016976

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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 2.52 -104.34 3 11 -1 156 403.456 8 ↓
Hi High (pH 8-9.5) -4.68 0.13 -139.24 2 11 -2 155 402.448 8 ↓
Mid Mid (pH 6-8) -4.68 1.72 -132.95 3 11 -1 156 403.456 8 ↓
Mid Mid (pH 6-8) -4.68 3.98 -174.83 4 11 0 157 404.464 8 ↓
Lo Low (pH 4.5-6) -4.68 4.2 -121.22 4 11 0 157 404.464 8 ↓
Lo Low (pH 4.5-6) -4.68 2.19 -118.93 3 11 -1 156 403.456 8 ↓
Lo Low (pH 4.5-6) -4.68 1.63 -98.38 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
PUBCHEM_PATENT_ID WO2000038738A1 IBM Patent Data

Activity (Go SEA)

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