UCSF

ZINC20269196

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: 5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID 5-METHYL-1H-INDOLE-3-CARBOXYLIC …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100286-90-6 , 10242-02-1 , 227960-12-5 , [100286-90-6] , [10242-02-1] , [227960-12-5]

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) 2.09 4.75 -61.05 1 3 -1 56 174.179 1 ↓
Hi High (pH 8-9.5) 1.29 3.99 -84.52 8 8 2 133 456.497 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 182 - 184 Enamine Building Blocks
MP 183 - 185 Enamine Building Blocks
MP 183...185 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

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