UCSF

ZINC22447798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 35 No

Popular Name: Gadoversetamide Gadoversetamide

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CAS Numbers: 129009-83-2 , 131069-91-5

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) -4.88 3.43 -89.26 4 15 -1 209 506.533 22 ↓
Hi High (pH 8-9.5) -4.88 1.62 -159.48 3 15 -2 208 505.525 22 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.98e+00 g/l DrugBank-approved

Activity (Go SEA)

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

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