UCSF

ZINC39500324

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 34 No

Popular Name: (3S)-N-[[(3S,5R)-4-benzyl-5-[[(2S)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazolidin-3-yl]methy (3S)-N-[[(3S,5R)-4-benzyl-5-[[(2…

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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) 2.65 5.95 -55.35 4 8 1 92 479.63 9 ↓
Mid Mid (pH 6-8) 2.65 3.83 -18.45 3 8 0 90 478.622 9 ↓

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

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