UCSF

ZINC39267629

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 Yes

Popular Name: 4-[(2-amino-6-morpholino-pyrimidin-4-yl)amino]-N-[2-(4-pyridyl)ethyl]benzamide 4-[(2-amino-6-morpholino-pyrimid…

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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) 1.93 8.16 -16.4 4 9 0 118 419.489 7 ↓
Lo Low (pH 4.5-6) 1.93 9.02 -80.07 6 9 2 121 421.505 7 ↓
Lo Low (pH 4.5-6) 1.93 8.62 -44.51 5 9 1 120 420.497 7 ↓
Lo Low (pH 4.5-6) 1.93 8.56 -43.76 5 9 1 120 420.497 7 ↓

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Rings

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