UCSF

ZINC66165953

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 32 Yes

Popular Name: 6-(2-morpholinoethyl)-N-phenyl-11H-purino[8,9-b]quinazolin-4-amine 6-(2-morpholinoethyl)-N-phenyl-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) 4.59 12.93 -10.85 1 8 0 71 427.512 5 ↓
Mid Mid (pH 6-8) 4.59 15.2 -45.81 2 8 1 73 428.52 5 ↓
Lo Low (pH 4.5-6) 4.59 15.35 -83.93 3 8 2 74 429.528 5 ↓

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

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