UCSF

ZINC22851765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 37 No

Popular Name: Eovist Eovist

Find On: PubMed — Wikipedia — Google

CAS Number: 135326-22-6

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) -5.00 8.79 -223.14 2 14 -3 218 524.503 20 ↓
Hi High (pH 8-9.5) -5.00 7.94 -196 2 14 -3 222 524.503 20 ↓
Hi High (pH 8-9.5) -5.00 10.73 -292.47 1 14 -4 221 523.495 20 ↓
Mid Mid (pH 6-8) -5.00 13.77 -137.31 3 14 -2 223 525.511 20 ↓
Lo Low (pH 4.5-6) -5.00 9.82 -282.4 1 14 -4 221 523.495 20 ↓
Lo Low (pH 4.5-6) -5.00 11.8 -201.75 2 14 -3 222 524.503 20 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.06e-01 g/l DrugBank-approved

Activity (Go SEA)

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

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