UCSF

ZINC19093622

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 15 Yes

Popular Name: (5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid (5-methyl-2-oxo-2,3-dihydro-1H-i…

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CAS Numbers: 938459-17-7 , [938459-17-7]

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) -0.96 5.72 -54.24 1 4 -1 69 204.205 2 ↓
Ref Reference (pH 7) -0.96 5.72 -54.22 1 4 -1 69 204.205 2 ↓
Lo Low (pH 4.5-6) -0.96 3.74 -11.4 2 4 0 66 205.213 2 ↓
Lo Low (pH 4.5-6) -0.96 3.74 -11.42 2 4 0 66 205.213 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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