UCSF

ZINC12031482

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 Yes

Popular Name: 2,5-dimethyl-N-[[7-[(E)-2-methyl-3-phenyl-prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4 2,5-dimethyl-N-[[7-[(E)-2-methyl…

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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) 2.62 0.68 -62.48 2 7 1 77 420.537 6 ↓

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

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