UCSF

ZINC69900878

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 No

Popular Name: 2-[[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]-5,5-dimethyl-cyclohexan 2-[[3-(4-isobutyl-5-methylsulfan…

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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) 2.77 9.83 -46.93 0 6 -1 83 377.534 8 ↓
Mid Mid (pH 6-8) 1.86 10.32 -17.37 1 6 0 77 378.542 8 ↓

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

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