UCSF

ZINC69491314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 Yes

Popular Name: 5-[(5-bromo-3-thienyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine 5-[(5-bromo-3-thienyl)methyl]-1-…

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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) 1.39 7.47 -31.1 1 3 1 22 313.244 2 ↓
Hi High (pH 8-9.5) 1.39 7 -10.07 0 3 0 21 312.236 2 ↓
Mid Mid (pH 6-8) 1.39 9.69 -100.79 2 3 2 24 314.252 2 ↓

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

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