UCSF

ZINC66640534

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 No

Popular Name: 2-ethylsulfanyl-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide 2-ethylsulfanyl-N-[(4-isopropyl-…

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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) 0.91 6.95 -14.74 2 6 0 76 337.474 6 ↓
Mid Mid (pH 6-8) 1.64 6.76 -42.16 1 6 -1 73 336.466 6 ↓

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

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