UCSF

ZINC20457743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 Yes

Popular Name: 4-[(4-Aminopiperidin-1-yl)methyl]benzonitrile dihydrochloride 4-[(4-Aminopiperidin-1-yl)methyl…

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CAS Numbers: , 1158365-82-2 , 1353977-72-6 , 92539-21-4

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) 0.76 3.61 -48.44 3 3 1 55 216.308 2 ↓
Mid Mid (pH 6-8) 0.76 5.61 -46.56 3 3 1 54 216.308 2 ↓
Mid Mid (pH 6-8) 0.76 5.92 -120.54 4 3 2 56 217.316 2 ↓

Vendor Notes

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

Activity (Go SEA)

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