UCSF

ZINC53528071

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 24 No

Popular Name: (2S)-2-benzylsulfanyl-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]propanamide (2S)-2-benzylsulfanyl-N-[5-(2-py…

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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) 2.52 9.32 -12.58 2 6 0 87 339.424 5 ↓
Mid Mid (pH 6-8) 2.53 8.27 -55.81 1 6 -1 90 338.416 6 ↓

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

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