UCSF

ZINC20896791

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 No

Popular Name: 1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-6-(p-tolyl)-2-thioxo-7H-pyrrolo[3, 1-methyl-5-(1-methyl-4-oxo-6-pyr…

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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) 2.88 10.8 -59.02 2 8 -1 99 475.579 3 ↓
Mid Mid (pH 6-8) 2.67 9.34 -69.99 1 8 -1 98 475.579 3 ↓
Mid Mid (pH 6-8) 2.48 11.12 -53.92 2 8 0 92 476.587 3 ↓
Mid Mid (pH 6-8) 2.02 13.02 -40.2 3 8 1 89 477.595 3 ↓
Mid Mid (pH 6-8) 2.42 12.75 -21.06 3 8 0 96 476.587 3 ↓
Mid Mid (pH 6-8) 3.34 8.84 -126.81 1 8 -2 102 474.571 3 ↓

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

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