UCSF

ZINC05823178

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 12 Yes

Popular Name: N-(4-pyridinylmethyl)-2-butanamine N-(4-pyridinylmethyl)-2-butanamine

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CAS Number: 869941-69-5

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) 1.42 4.89 -40.21 2 2 1 29 165.26 4 ↓
Lo Low (pH 4.5-6) 1.42 5.17 -95.28 3 2 2 31 166.268 4 ↓

Vendor Notes

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

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