UCSF

ZINC65164307

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.94 4.7 -13.71 1 5 0 66 342.218 2 ↓
Mid Mid (pH 6-8) 1.94 5.17 -41.92 2 5 1 67 343.226 2 ↓

Activity (Go SEA)

Rings

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

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