UCSF

ZINC69892386

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: 1-(4-fluorophenyl)-N-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclobutanamine 1-(4-fluorophenyl)-N-(3H-imidazo…

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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) 2.68 7.29 -34.24 2 4 0 56 296.349 4 ↓
Mid Mid (pH 6-8) 2.68 6.57 -9.43 2 4 0 54 296.349 4 ↓
Mid Mid (pH 6-8) 2.68 7.76 -45.31 3 4 1 58 297.357 4 ↓

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Rings

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

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