UCSF

ZINC13415111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 Yes

Popular Name: (3R)-1-[2-[oxo-(p-tolyl)BLAHyl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[oxo-(p-tolyl)BLAHyl]s…

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Annotations

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) 3.48 12.94 -60.21 0 7 -1 95 482.607 5 ↓

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Rings

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

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