UCSF

ZINC04218786

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: 1-[(4-methylphenyl)sulfonyl]-1,4-diazepane 1-[(4-methylphenyl)sulfonyl]-1,4…

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CAS Numbers: , 872103-28-1

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) 1.27 3.39 -47.13 2 4 1 54 255.363 2 ↓
Hi High (pH 8-9.5) 1.27 2.22 -8.71 1 4 0 49 254.355 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 110 - 112 Enamine Building Blocks
MP 110...112 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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