UCSF

ZINC05569979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 18 Yes

Popular Name: {1-[(4-chlorophenyl)sulfonyl]-3-piperidinyl}methanol {1-[(4-chlorophenyl)sulfonyl]-3-…

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CAS Numbers: 349098-57-3 , 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) 2.07 -6.14 -9.76 1 4 0 57 289.784 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 117 - 118 KeyOrganics
MP 117-118° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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