UCSF

ZINC58540694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 26 No

Popular Name: 1-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5- 1-[[(3-methoxy-4-methylsulfanyl-…

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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) 2.39 13.21 -70.15 1 6 1 49 390.558 6 ↓
Mid Mid (pH 6-8) 2.39 11.24 -31.98 0 6 0 48 389.55 6 ↓

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

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