UCSF

ZINC67446674

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 Yes

Popular Name: 3-[[(2-amino-6-isopropoxy-pyrimidin-4-yl)amino]methyl]-7-fluoro-1H-quinolin-2-one 3-[[(2-amino-6-isopropoxy-pyrimi…

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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) 1.62 4.83 -14.01 4 7 0 106 343.362 5 ↓
Lo Low (pH 4.5-6) 1.62 5.32 -35 5 7 1 107 344.37 5 ↓

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

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