UCSF

ZINC62039769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 Yes

Popular Name: 4-[4-(diethylamino)-2-methyl-anilino]-6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidine-5-carbonit 4-[4-(diethylamino)-2-methyl-ani…

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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) 6.05 13.07 -66.47 2 7 0 85 464.615 9 ↓
Mid Mid (pH 6-8) 6.05 12.93 -8.63 1 7 0 83 463.607 9 ↓

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

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