UCSF

ZINC71405152

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 22 No

Popular Name: (3R,4R)-6-amino-5-cyano-4-(4-fluorophenyl)-N,N-dimethyl-2-thioxo-3,4-dihydro-1H-pyridine-3-carboxami (3R,4R)-6-amino-5-cyano-4-(4-flu…

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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) 0.68 5.6 -26.28 3 5 0 84 319.385 2 ↓
Mid Mid (pH 6-8) 0.68 5.2 -23.45 2 5 0 82 318.377 2 ↓

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

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