UCSF

ZINC65164362

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 22 Yes

Popular Name: (3aR)-5-(4-isobutylphenyl)sulfonyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine (3aR)-5-(4-isobutylphenyl)sulfon…

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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) 2.46 6.76 -12.61 1 5 0 66 319.43 4 ↓
Mid Mid (pH 6-8) 2.46 7.23 -41.65 2 5 1 67 320.438 4 ↓

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

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