UCSF

ZINC19672480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 11 Yes

Popular Name: N~1~,N~1~-diethyl-2-methylalaninamide N~1~,N~1~-diethyl-2-methylalanin…

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CAS Numbers: , 65853-90-9 , 754924-58-8 , N/A

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) 0.64 2.43 -45.93 3 3 1 48 159.253 3 ↓
Hi High (pH 8-9.5) 0.64 2.33 -6.75 2 3 0 46 158.245 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.