UCSF

ZINC66165952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 31 Yes

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

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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) 4.43 16.83 -41.31 2 7 1 67 414.537 6 ↓
Hi High (pH 8-9.5) 5.50 15 -9.09 1 7 0 62 413.529 7 ↓
Lo Low (pH 4.5-6) 5.50 17.24 -78.88 3 7 2 65 415.545 7 ↓

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

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