UCSF

ZINC19280754

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 15 Yes

Popular Name: 1-(2-Chloro-benzyl)-[1,4]diazepane hydrochloride 1-(2-Chloro-benzyl)-[1,4]diazepa…

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CAS Numbers: 1353979-10-8 , 76141-88-3

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) 1.94 5.74 -28.66 2 2 1 16 225.743 2 ↓
Lo Low (pH 4.5-6) 1.94 4.97 -38.68 2 2 1 20 225.743 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997044334A2 IBM Patent Data

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