UCSF

ZINC65164367

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Substance Information

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

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

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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) 1.81 4.59 -13.77 1 5 0 66 297.767 2 ↓
Mid Mid (pH 6-8) 1.81 5.07 -41.99 2 5 1 67 298.775 2 ↓
Lo Low (pH 4.5-6) 1.81 5.07 -42.15 2 5 1 67 298.775 2 ↓

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

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