UCSF

ZINC07149229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2006 21 No

Popular Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione 2-[(4-amino-6-methyl-pyrimidin-2…

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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) 2.73 6.01 -12.28 2 6 0 91 300.343 3 ↓
Lo Low (pH 4.5-6) 2.73 6.42 -27.79 3 6 1 92 301.351 3 ↓

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

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