UCSF

ZINC12215380

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 18 Yes

Popular Name: (2-chlorophenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-chlorophenyl)-(9-thia-4-azabi…

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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) 2.80 8.18 -10.39 0 2 0 20 277.776 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4193997 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.