UCSF

ZINC65164559

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 21 Yes

Popular Name: (3aR,4S)-N-isopropyl-4-(4-pyridyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (3aR,4S)-N-isopropyl-4-(4-pyridy…

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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) 1.61 6 -46.99 3 6 1 75 286.359 2 ↓
Mid Mid (pH 6-8) 1.61 5.55 -14.62 2 6 0 74 285.351 2 ↓
Lo Low (pH 4.5-6) 1.61 6.47 -100.02 4 6 2 76 287.367 2 ↓

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

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