UCSF

ZINC60120243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 28 Yes

Popular Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-[(1S)-1-(methoxymethyl)propyl]-2-methyl-purin-6-amine N-[2-bromo-4-(trifluoromethyl)ph…

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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) 5.38 11.98 -8.71 1 6 0 65 458.282 7 ↓
Lo Low (pH 4.5-6) 5.38 11.61 -27.74 2 6 1 66 459.29 7 ↓

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

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