UCSF

ZINC60120445

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 20 Yes

Popular Name: 4,5-dichloro-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl]-1H-benzimidazole 4,5-dichloro-2-[(1S,5R)-8-methyl…

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Vendors

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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) 3.56 8.73 -39.72 2 3 1 33 309.22 1 ↓
Mid Mid (pH 6-8) 3.56 6.37 -9.01 1 3 0 32 308.212 1 ↓
Mid Mid (pH 6-8) 3.56 6.37 -5.28 1 3 0 32 308.212 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999065492A1 IBM Patent Data

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Rings

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

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