UCSF

ZINC66058773

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 33 Yes

Popular Name: N-benzyl-6-(2-morpholinoethyl)-11H-purino[8,9-b]quinazolin-4-amine N-benzyl-6-(2-morpholinoethyl)-1…

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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) 3.86 12.7 -10.65 1 8 0 71 441.539 6 ↓
Mid Mid (pH 6-8) 3.86 14.97 -44.74 2 8 1 73 442.547 6 ↓
Lo Low (pH 4.5-6) 3.86 15.34 -88.49 3 8 2 74 443.555 6 ↓

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

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