UCSF

ZINC12222445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 Yes

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

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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) 2.73 0.61 -12.84 0 5 0 51 370.456 6 ↓
Lo Low (pH 4.5-6) 2.73 0.71 -40.65 1 5 1 52 371.464 6 ↓
Lo Low (pH 4.5-6) 2.73 0.72 -42.9 1 5 1 52 371.464 6 ↓
Lo Low (pH 4.5-6) 2.73 0.82 -83.91 2 5 2 54 372.472 6 ↓

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Rings

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

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