UCSF

ZINC56687950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 21 No

Popular Name: N-(4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N'-methylthiourea N-(4-imino-1-phenyl-1,4-dihydro-…

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Other Names:

MFCD02955820

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) -2.56 7.7 -40.86 4 7 1 85 300.371 4 ↓
Mid Mid (pH 6-8) -0.27 8.03 -13.05 3 7 0 84 299.363 4 ↓

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

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