UCSF

ZINC12219857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 24 Yes

Popular Name: N-tert-butyl-3-[2-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide N-tert-butyl-3-[2-(3-pyridyl)pyr…

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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) 2.49 -0.81 -10.95 1 5 0 60 322.412 5 ↓
Lo Low (pH 4.5-6) 2.49 -0.7 -37.39 2 5 1 61 323.42 5 ↓
Lo Low (pH 4.5-6) 2.49 -0.7 -43.7 2 5 1 61 323.42 5 ↓
Lo Low (pH 4.5-6) 2.49 -0.6 -84.85 3 5 2 62 324.428 5 ↓

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Rings

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

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