UCSF

ZINC13281535

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 13 Yes

Popular Name: 3-(Dimethylaminomethyl)-7-azaindole 3-(Dimethylaminomethyl)-7-azaindole

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CAS Numbers: 5654-92-2 , [5654-92-2] , [5694-92-2]

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) 0.99 5.8 -40.19 2 3 1 33 176.243 2 ↓
Lo Low (pH 4.5-6) 0.99 6.05 -85.71 3 3 2 34 177.251 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 159 KeyOrganics
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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