UCSF

ZINC13256595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 34 Yes

Popular Name: (3S)-1-[2-[(3,4-dimethylphenyl)-oxo-BLAHyl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[(3,4-dimethylphenyl)-…

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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) 4.07 13.49 -60.52 0 7 -1 95 496.634 5 ↓

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

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