UCSF

ZINC71587312

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 Yes

Popular Name: (4S,6S)-4-(3-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic (4S,6S)-4-(3-fluorophenyl)-4,5,6…

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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) -0.30 6.66 -37.54 3 5 0 85 261.256 2 ↓
Hi High (pH 8-9.5) -0.30 5.5 -48.72 2 5 -1 81 260.248 2 ↓
Lo Low (pH 4.5-6) -0.30 5.94 -59.55 3 5 0 82 261.256 2 ↓

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

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