UCSF

ZINC69483789

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 Yes

Popular Name: 4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-phenyl-thiazole 4-[(1-methyl-6,7-dihydro-4H-imid…

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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) 1.96 8.97 -31.58 1 4 1 35 311.434 3 ↓
Hi High (pH 8-9.5) 1.96 8.51 -14.34 0 4 0 34 310.426 3 ↓
Lo Low (pH 4.5-6) 1.96 11.22 -95.82 2 4 2 36 312.442 3 ↓

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

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