UCSF

ZINC23070641

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 10 Yes

Popular Name: 1-propyl-1,4-diazepane 1-propyl-1,4-diazepane

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CAS Number: 3619-74-7

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) 0.79 2.46 -35.36 2 2 1 20 143.254 2 ↓
Hi High (pH 8-9.5) 0.79 3.19 -31.53 2 2 1 16 143.254 2 ↓
Hi High (pH 8-9.5) 0.79 1.24 -0.75 1 2 0 15 142.246 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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