UCSF

ZINC12222700

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.50 -1.44 -13.1 1 6 0 69 386.455 7 ↓
Lo Low (pH 4.5-6) 2.50 -1.34 -40.6 2 6 1 70 387.463 7 ↓
Lo Low (pH 4.5-6) 2.50 -1.33 -43.9 2 6 1 70 387.463 7 ↓
Lo Low (pH 4.5-6) 2.50 -1.23 -84.87 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.