UCSF

ZINC69491281

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: (2S,3R)-2-(3,4-difluorophenyl)-1-[(1R)-3-methoxy-1-methyl-propyl]-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(3,4-difluorophenyl)-1…

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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) 2.10 8.13 -40.1 0 5 -1 70 340.346 6 ↓
Lo Low (pH 4.5-6) 2.10 6.11 -11.44 1 5 0 67 341.354 6 ↓

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Rings

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

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