UCSF

ZINC20129149

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Popular Name: (4R)-N-(3-pyrrolidin-1-ylpropyl)chroman-4-amine (4R)-N-(3-pyrrolidin-1-ylpropyl)…

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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) 1.62 7.32 -36.35 2 3 1 26 261.389 5 ↓
Mid Mid (pH 6-8) 1.62 5.73 -43.85 2 3 1 29 261.389 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000078742A1 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.