UCSF

ZINC05929080

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 35 No

Popular Name: 4-[[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-(3-pyridylmethyl)-2H-pyrrol-3-yl]carbonyl]-N,N-dimethyl-benz 4-[[2-(4-bromophenyl)-4-hydroxy-…

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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) 2.66 -5.33 -20.05 1 8 0 107 556.438 7 ↓
Mid Mid (pH 6-8) 2.08 -5.48 -27.62 0 8 0 104 556.438 7 ↓
Lo Low (pH 4.5-6) 3.11 -5.61 -56.26 2 8 1 109 557.446 6 ↓

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