UCSF

ZINC40972328

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 26 Yes

Popular Name: 6-(phenethylamino)-9-(3-pyridyl)-7,8-dihydropurine-2-carbonitrile 6-(phenethylamino)-9-(3-pyridyl)…

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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) 2.36 8.6 -15.54 2 7 0 90 343.394 5 ↓
Lo Low (pH 4.5-6) 2.36 9.05 -45.2 3 7 1 91 344.402 5 ↓

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

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