UCSF

ZINC13795683

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 Yes

Popular Name: 3-fluoro-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide 3-fluoro-2-phenyl-N-[(1S)-1-phen…

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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) 4.91 11.84 -9.93 1 3 0 42 384.454 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1019377A1; WO1997019926A1 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.