UCSF

ZINC00179924

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 3-(1H-Indol-1-yl)propanoic acid 3-(1H-Indol-1-yl)propanoic acid

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CAS Numbers: 6639-06-1 , 66390-60-1 , 830-96-6 , N/A , [6639-06-1]

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) 1.74 6.92 -45.13 0 3 -1 45 188.206 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 180-197° Matrix Scientific
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
MP 83 - 85 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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