UCSF

ZINC34615833

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 9 Yes

Popular Name: N,N,4-trimethylpentan-1-amine N,N,4-trimethylpentan-1-amine

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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) 2.27 6.31 -31.92 1 1 1 4 130.255 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US2142007; WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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