UCSF

ZINC69797529

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 No

Popular Name: 2-[[allyl(cyclohexylmethyl)amino]methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-thione 2-[[allyl(cyclohexylmethyl)amino…

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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) 2.45 12.03 -35.66 1 5 1 36 325.502 9 ↓
Hi High (pH 8-9.5) 2.45 10.37 -9.93 0 5 0 35 324.494 9 ↓

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

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