UCSF

ZINC71405156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 28 No

Popular Name: (3R,4S)-6-amino-5-cyano-4-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyridine-3-ca (3R,4S)-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) 2.61 7.02 -25.9 4 6 0 102 397.455 4 ↓
Hi High (pH 8-9.5) 2.61 6.59 -23.44 3 6 0 101 396.447 4 ↓

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

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