UCSF

ZINC19366941

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Popular Name: 1-(3-Methoxy-benzyl)-[1,4]diazepane 1-(3-Methoxy-benzyl)-[1,4]diazepane

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CAS Numbers: , 502142-36-1

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) 1.34 4.5 -32.35 2 3 1 26 221.324 3 ↓
Lo Low (pH 4.5-6) 1.34 3.74 -40.49 2 3 1 29 221.324 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997044334A2 IBM Patent Data

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