UCSF

ZINC13545744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 No

Popular Name: 6-amino-5-[(6-amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone 6-amino-5-[(6-amino-4-oxo-2-thio…

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Other Names:

MFCD03084018

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) -0.51 4.92 -33.03 8 10 0 167 454.541 4 ↓
Hi High (pH 8-9.5) 0.41 3.7 -98.53 6 10 -2 173 452.525 4 ↓
Hi High (pH 8-9.5) -0.05 3.75 -46.38 7 10 -1 170 453.533 4 ↓
Hi High (pH 8-9.5) -0.05 3.76 -46.68 7 10 -1 170 453.533 4 ↓

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Rings

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

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