UCSF

ZINC06868985

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 12 Yes

Popular Name: N-(3-pyridinylmethyl)-1-butanamine N-(3-pyridinylmethyl)-1-butanamine

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CAS Number: 20173-12-0

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) 1.70 5.03 -42.31 2 2 1 29 165.26 5 ↓
Lo Low (pH 4.5-6) 1.70 5.31 -101.01 3 2 2 31 166.268 5 ↓

Vendor Notes

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

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