UCSF

ZINC36886598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 12 Yes

Popular Name: 4-(dimethylamino)-3-fluorobenzonitrile 4-(dimethylamino)-3-fluorobenzon…

Find On: PubMed — Wikipedia — Google

CAS Number: 160658-69-5

Other Names:

MFCD12110121

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) 1.89 5.81 -5.17 0 2 0 27 164.183 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 34 - 36 Enamine Building Blocks
MP 34...36 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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