UCSF

ZINC13413325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 Yes

Popular Name: (3R)-1-[2-(butyl-oxo-BLAHyl)sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-(butyl-oxo-BLAHyl)sulf…

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Vendors

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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) 3.20 11.38 -57.27 0 7 -1 95 448.59 7 ↓

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Rings

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

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