UCSF

ZINC57279122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 21 Yes

Popular Name: N6-benzyl-N6,8,9-trimethyl-purine-2,6-diamine N6-benzyl-N6,8,9-trimethyl-purin…

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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) 2.21 10.23 -11.39 2 6 0 73 282.351 3 ↓
Lo Low (pH 4.5-6) 2.21 10.7 -27.96 3 6 1 74 283.359 3 ↓
Lo Low (pH 4.5-6) 2.21 10.53 -28.41 3 6 1 74 283.359 3 ↓

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Rings

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

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