UCSF

ZINC19735663

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 Yes

Popular Name: 1-(3-Fluoro-benzyl)-[1,4]diazepane hydrochloride 1-(3-Fluoro-benzyl)-[1,4]diazepa…

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CAS Numbers: 1353965-37-3 , 199672-29-2 , 749830-96-4

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) 1.45 5.27 -34.88 2 2 1 16 209.288 2 ↓
Lo Low (pH 4.5-6) 1.45 4.14 -39.53 2 2 1 20 209.288 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 47-49° Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997044334A2 IBM Patent Data

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