UCSF

ZINC01433329

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 9 Yes

Popular Name: 3-Amino-2-pyridinecarbonitrile 3-Amino-2-pyridinecarbonitrile

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CAS Numbers: 42242-11-5 , [42242-11-5]

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) 0.34 0.91 -8.3 2 3 0 63 119.127 0 ↓
Mid Mid (pH 6-8) 0.34 1.18 -37.11 3 3 1 64 120.135 0 ↓

Vendor Notes

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

Activity (Go SEA)

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