UCSF

ZINC62810183

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 13 Yes

Popular Name: 2-(azetidin-3-yloxy)isonicotinonitrile 2-(azetidin-3-yloxy)isonicotinon…

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Other Names:

MFCD18267851

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) 0.44 1.32 -42.35 2 4 1 63 176.199 2 ↓
Hi High (pH 8-9.5) 0.44 -0.38 -7.17 1 4 0 58 175.191 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.