UCSF

ZINC11842008

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 26 Yes

Popular Name: 3-[1-[(2-chlorophenyl)methyl]-4-piperidyl]-2-isopropyl-imidazo[5,4-b]pyridine 3-[1-[(2-chlorophenyl)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) 4.19 0.86 -44.93 1 4 1 35 369.92 4 ↓
Mid Mid (pH 6-8) 4.19 1.03 -84.45 2 4 2 36 370.928 4 ↓
Lo Low (pH 4.5-6) 4.19 1.1 -95.64 2 4 2 36 370.928 4 ↓
Lo Low (pH 4.5-6) 4.19 1.27 -175.39 3 4 3 38 371.936 4 ↓

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Rings

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