UCSF

ZINC38127201

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 18 Yes

Popular Name: (2S)-1,5-diphenylpentan-2-amine (2S)-1,5-diphenylpentan-2-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) 3.57 9.4 -43.9 3 1 1 28 240.37 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0484094A2; EP0484094B1; EP0567271A2; EP0567271B1; EP0725074A2; EP0725074A3; US5302621; US5536714; US5698720; US5717088; US5760025 IBM Patent Data

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Rings

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

No pre-computed analogs available. Try a structural similarity search.