UCSF

ZINC67073417

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: (3S)-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin (3S)-N-[2-(4-isopropyl-5-sulfany…

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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) 0.35 6.32 -27.72 2 7 0 83 379.408 7 ↓
Mid Mid (pH 6-8) 1.08 6.26 -57.47 1 7 -1 80 378.4 7 ↓

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

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