UCSF

ZINC19679934

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 Yes

Popular Name: 1-(3-methylbenzoyl)-1,4-diazepane 1-(3-methylbenzoyl)-1,4-diazepane

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CAS Number: 815650-83-0

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) 0.90 5.9 -45.58 2 3 1 37 219.308 1 ↓

Vendor Notes

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

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