UCSF

ZINC08729990

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 18 Yes

Popular Name: {1-[(4-bromophenyl)sulfonyl]-4-piperidinyl}methanol {1-[(4-bromophenyl)sulfonyl]-4-p…

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CAS Numbers: 937012-94-7 , N/A

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) 2.20 -6.7 -8.69 1 4 0 57 334.235 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 115 KeyOrganics
MP 113-115° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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