UCSF

ZINC19736886

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 12 Yes

Popular Name: 3-(Benzylamino)propanenitrile hydrochloride 3-(Benzylamino)propanenitrile hy…

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CAS Numbers: 706-03-6 , 877-97-4 , N/A , [706-03-6] , [877-97-4]

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) 0.95 4.32 -7.15 1 2 0 36 160.22 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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