UCSF

ZINC20253484

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: 1-(1,3-thiazol-4-ylmethyl)-1,4-diazepane 1-(1,3-thiazol-4-ylmethyl)-1,4-d…

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CAS Number: 1042777-93-4

Other Names:

MFCD11170993

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) 0.48 1.57 -41.02 2 3 1 33 198.315 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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