UCSF

ZINC67739692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: 1-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]-3-(3-methylimidazo[4,5-b]pyridin-2-yl)propan-1-one 1-[4-hydroxy-4-(5-methyl-2-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) 1.21 7.2 -15.89 1 7 0 84 379.464 4 ↓
Lo Low (pH 4.5-6) 1.21 7.72 -46.16 2 7 1 85 380.472 4 ↓

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

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