UCSF

ZINC19736856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 9 Yes

Popular Name: 3-(sec-Butylamino)propanenitrile 3-(sec-Butylamino)propanenitrile

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CAS Numbers: 1385694-20-1 , 21539-52-6 , [21539-52-6]

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) 0.76 4.14 -49.31 2 2 1 40 127.211 4 ↓
Hi High (pH 8-9.5) 0.76 2.86 -5.84 1 2 0 36 126.203 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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