UCSF

ZINC39141035

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 13 Yes

Popular Name: 1-(2-pyrrolidinylmethyl)azepane 1-(2-pyrrolidinylmethyl)azepane

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CAS Numbers: 1219964-19-8 , 881040-13-7 , N/A

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) 1.93 6.45 -108.22 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.93 5.1 -30.42 2 2 1 16 183.319 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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