UCSF

ZINC00108223

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 15 Yes

Popular Name: 3-(3-methyl-1h-indol-1-yl)propanoic acid 3-(3-methyl-1h-indol-1-yl)propan…

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CAS Numbers: 57662-47-2 , [57662-47-2]

Other Names:

MFCD00052088

SS-5679

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) 2.12 7.59 -45.5 0 3 -1 45 202.233 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0460679A3; EP0460679B1; US5444152; US5470833; US5691315; WO2000001692A1 IBM Patent Data

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