UCSF

ZINC11838401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 33 Yes

Popular Name: 3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-2-[(2-methoxyphenoxy)methyl]imidazo[5,4-b]pyridine 3-[1-[(4-fluorophenyl)methyl]-4-…

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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) 3.95 1.31 -54.89 1 6 1 54 447.534 7 ↓
Mid Mid (pH 6-8) 3.95 1.48 -97.87 2 6 2 55 448.542 7 ↓
Lo Low (pH 4.5-6) 3.95 1.56 -113.11 2 6 2 55 448.542 7 ↓
Lo Low (pH 4.5-6) 3.95 1.72 -197.78 3 6 3 56 449.55 7 ↓

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

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