UCSF

ZINC34924861

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Popular Name: 1-(5-Chloro-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid 1-(5-Chloro-1,3-benzoxazol-2-yl)…

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CAS Numbers: , 1035840-87-9

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) 2.63 6.22 -45.07 0 5 -1 69 279.703 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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