UCSF

ZINC32099180

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 Yes

Popular Name: 1-(6-Amino-3,3-dimethylindolin-1-yl)ethanone 1-(6-Amino-3,3-dimethylindolin-1…

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CAS Numbers: 453562-71-5 , [453562-71-5]

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) 1.42 4.43 -11.52 2 3 0 46 204.273 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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