UCSF

ZINC65164370

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

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

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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) 1.56 4.37 -12.15 1 5 0 66 277.349 2 ↓
Mid Mid (pH 6-8) 1.56 4.84 -43.75 2 5 1 67 278.357 2 ↓
Mid Mid (pH 6-8) 1.56 4.86 -43.7 2 5 1 67 278.357 2 ↓

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

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