UCSF

ZINC63720292

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 35 No

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[(6R)-5-(2-ethylphenyl)-4-imino-3-methyl-6H-pyrazolo[3,4-d]pyri N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 3.97 6.87 -13.25 2 9 0 113 513.023 8 ↓
Lo Low (pH 4.5-6) 3.97 6.66 -42.99 3 9 1 115 514.031 8 ↓

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

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