UCSF

ZINC12222705

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.80 -0.56 -12.87 1 6 0 69 372.428 6 ↓
Lo Low (pH 4.5-6) 2.80 -0.45 -39.93 2 6 1 70 373.436 6 ↓
Lo Low (pH 4.5-6) 2.80 -0.45 -44.72 2 6 1 70 373.436 6 ↓
Lo Low (pH 4.5-6) 2.80 -0.34 -86.05 3 6 2 72 374.444 6 ↓

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Rings

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

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