UCSF

ZINC49917653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 40 No

Popular Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-7,8- N-[3-chloro-4-[(3-fluorophenyl)m…

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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) 4.65 13.45 -51.67 3 10 1 123 585.085 10 ↓
Mid Mid (pH 6-8) 4.65 13.06 -24.94 2 10 0 122 584.077 10 ↓

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

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