UCSF

ZINC52827373

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 1-methyl-6-[[(2R)-2-(5-methylisoxazol-3-yl)pyrrolidin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[(2R)-2-(5-methyliso…

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Download: MOL2 SDF SMILES Flexibase

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) 0.37 4.33 -17.7 1 8 0 93 314.349 3 ↓
Mid Mid (pH 6-8) 0.37 6.51 -53.6 2 8 1 94 315.357 3 ↓
Mid Mid (pH 6-8) 0.83 4.24 -44.48 1 8 0 97 314.349 3 ↓

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

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