UCSF

ZINC12222217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 29 Yes

Popular Name: N-(2-ethoxyphenyl)-3-[2-(4-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-(2-ethoxyphenyl)-3-[2-(4-pyrid…

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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) 3.17 -0.54 -12.59 1 6 0 69 386.455 7 ↓
Lo Low (pH 4.5-6) 3.17 -0.44 -39.57 2 6 1 70 387.463 7 ↓
Lo Low (pH 4.5-6) 3.17 -0.43 -44.49 2 6 1 70 387.463 7 ↓
Lo Low (pH 4.5-6) 3.17 -0.33 -85.69 3 6 2 72 388.471 7 ↓

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Rings

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

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