UCSF

ZINC67944067

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]eth 1-(4-acetyl-3-ethyl-5-methyl-1H-…

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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) 3.46 7.76 -42.53 1 6 -1 90 375.861 6 ↓
Mid Mid (pH 6-8) 3.46 8.26 -12.8 2 6 0 92 376.869 6 ↓

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

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