UCSF

ZINC49539687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 No

Popular Name: 2-[[5-(4-ethylphenyl)-4-imino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-1-(4-methyl-1-pipe 2-[[5-(4-ethylphenyl)-4-imino-3-…

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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) 0.21 11.92 -32.23 3 7 1 92 425.582 5 ↓
Mid Mid (pH 6-8) 2.26 11.94 -13.38 2 7 0 91 424.574 5 ↓

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

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