UCSF

ZINC54991635

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 No

Popular Name: (2R)-1-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-[2-[(5-chloro-2-pyridyl)a…

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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) 1.88 5.87 -48.23 3 6 1 76 365.763 6 ↓
Hi High (pH 8-9.5) 1.70 2.82 -49.46 1 6 -1 81 363.747 6 ↓
Mid Mid (pH 6-8) 1.88 3.85 -19.39 2 6 0 74 364.755 6 ↓

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

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