UCSF

ZINC14001405

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 18 Yes

Popular Name: C-(3-Methyl-2-phenyl-1H-indol-5-yl)-methylamine C-(3-Methyl-2-phenyl-1H-indol-5-…

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CAS Numbers: 942872-87-9 , [942872-87-9]

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) 3.37 6.59 -46.59 4 2 1 43 237.326 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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