UCSF

ZINC20896803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 Yes

Popular Name: 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-7H-pyrrolo[4,5-e]pyr 6-(4-chlorophenyl)-1-methyl-5-(1…

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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) 2.43 5.43 -60.04 2 10 -1 134 463.861 3 ↓
Mid Mid (pH 6-8) 2.88 2.84 -130.84 1 10 -2 137 462.853 3 ↓
Mid Mid (pH 6-8) 1.97 8.19 -20.22 3 10 0 130 464.869 3 ↓

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

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