UCSF

ZINC35017550

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 No

Popular Name: (2Z)-2-[hydroxy-[(2-methylsulfanylphenyl)methylamino]methylene]-7,8,8-trimethyl-6H-imidazo[1,5-a]pyr (2Z)-2-[hydroxy-[(2-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) 1.50 1.46 -12.02 2 7 0 91 374.466 4 ↓
Mid Mid (pH 6-8) 1.50 2.09 -56.19 1 7 -1 94 373.458 4 ↓
Lo Low (pH 4.5-6) 1.50 5.1 -21.39 2 7 0 95 374.466 4 ↓

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

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