UCSF

ZINC00901392

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Popular Name: 2-(1H-Indol-2-yl)ethanamine 2-(1H-Indol-2-yl)ethanamine

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CAS Numbers: 496-42-4 , [496-42-4]

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) 1.38 -3.03 -49.8 4 2 1 43 161.228 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
Purity 95% Fluorochem
MP 95...97 Enamine Building Blocks

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