UCSF

ZINC22996491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 No

Popular Name: [5-bromo-3'-(4-hydroxyphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-5'-yl]acetic acid [5-bromo-3'-(4-hydroxyphenyl)-2,…

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CAS Number: 1092344-32-5

Other Names:

MFCD11501746

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) 2.19 4.73 -60.5 2 7 -1 110 448.274 3 ↓
Hi High (pH 8-9.5) 2.19 5.52 -103.51 1 7 -2 113 447.266 3 ↓
Lo Low (pH 4.5-6) 2.19 3.61 -18.96 3 7 0 107 449.282 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 287 - 291 KeyOrganics

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Rings

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

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