UCSF

ZINC52827808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 1-methyl-6-[[4-(4-methylthiazol-2-yl)piperazin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[4-(4-methylthiazol-…

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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) 0.31 4.99 -15.27 1 8 0 83 345.432 3 ↓
Mid Mid (pH 6-8) 0.31 7.17 -62.99 2 8 1 84 346.44 3 ↓
Mid Mid (pH 6-8) 0.76 4.56 -48.18 1 8 0 87 345.432 3 ↓
Mid Mid (pH 6-8) 0.31 5.38 -38.69 2 8 1 84 346.44 3 ↓

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Rings

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

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